AI61204
91431-22-0 | N,N-Diethyl-4-methyl-3-nitrobenzenesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AI61204
ChemicalName
N,N-Diethyl-4-methyl-3-nitrobenzenesulfonamide
CasNumber
91431-22-0
MolecularFormula
C11H16N2O4S
MolecularWeight
272.3207
MdlNumber
MFCD00577539
Smiles
CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC
Complexity
381
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AI61204
ChemicalName: N,N-Diethyl-4-methyl-3-nitrobenzenesulfonamide
CasNumber: 91431-22-0
MolecularFormula: C11H16N2O4S
MolecularWeight: 272.3207
MdlNumber: MFCD00577539
Smiles: CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC
Complexity: 381
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AI61204
ChemicalName:
N,N-Diethyl-4-methyl-3-nitrobenzenesulfonamide
CasNumber:
91431-22-0
MolecularFormula:
C11H16N2O4S
MolecularWeight:
272.3207
MdlNumber:
MFCD00577539
Smiles:
CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC
Complexity:
381
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
2.3
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Smiles: O=C(N1CCC(CC1)CN1CCC(CC1)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
O=C(N1CCC(CC1)CN1CCC(CC1)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COC(=O)C1CCN(CC1)CC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)C1CCN(CC1)CC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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MolecularWeight: __
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Smiles: O=Cc1cn(c2c1cc(C#N)cc2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cn(c2c1cc(C#N)cc2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__