AA06618
1017051-55-6 | 5-Methyl-2-[(methylsulfonyl)amino]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA06618
ChemicalName
5-Methyl-2-[(methylsulfonyl)amino]benzoic acid
CasNumber
1017051-55-6
MolecularFormula
C9H11NO4S
MolecularWeight
229.2529
MdlNumber
MFCD09945630
Smiles
Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)C
Complexity
333
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AA06618
ChemicalName: 5-Methyl-2-[(methylsulfonyl)amino]benzoic acid
CasNumber: 1017051-55-6
MolecularFormula: C9H11NO4S
MolecularWeight: 229.2529
MdlNumber: MFCD09945630
Smiles: Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)C
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AA06618
ChemicalName:
5-Methyl-2-[(methylsulfonyl)amino]benzoic acid
CasNumber:
1017051-55-6
MolecularFormula:
C9H11NO4S
MolecularWeight:
229.2529
MdlNumber:
MFCD09945630
Smiles:
Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)C
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.1
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ChemicalName: __
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MolecularFormula: __
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Smiles: Nc1nnc(o1)c1sccc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Nc1nnc(o1)c1sccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Nc1ccc2c(c1)nc(o2)C(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1ccc2c(c1)nc(o2)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[N+](CCOC(=O)N(c1ccccc1)c1ccccc1)(CC)CC.[I-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[N+](CCOC(=O)N(c1ccccc1)c1ccccc1)(CC)CC.[I-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__