AI41069
1820741-14-7 | 4-Methanesulfonyl-3-methylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AI41069
ChemicalName
4-Methanesulfonyl-3-methylbenzamide
CasNumber
1820741-14-7
MolecularFormula
C9H11NO3S
MolecularWeight
213.2535
MdlNumber
MFCD27981302
Smiles
NC(=O)c1ccc(c(c1)C)S(=O)(=O)C
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AI41069
ChemicalName: 4-Methanesulfonyl-3-methylbenzamide
CasNumber: 1820741-14-7
MolecularFormula: C9H11NO3S
MolecularWeight: 213.2535
MdlNumber: MFCD27981302
Smiles: NC(=O)c1ccc(c(c1)C)S(=O)(=O)C
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AI41069
ChemicalName:
4-Methanesulfonyl-3-methylbenzamide
CasNumber:
1820741-14-7
MolecularFormula:
C9H11NO3S
MolecularWeight:
213.2535
MdlNumber:
MFCD27981302
Smiles:
NC(=O)c1ccc(c(c1)C)S(=O)(=O)C
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: AI41070
ChemicalName: 6-Methoxy-2,2-dimethyl-1,3-dihydroquinazolin-4-one
CasNumber: 1820741-21-6
MolecularFormula: C11H14N2O2
MolecularWeight: 206.2411
MdlNumber: MFCD27936850
Smiles: COc1ccc2c(c1)C(=O)NC(N2)(C)C
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AI41070
ChemicalName:
6-Methoxy-2,2-dimethyl-1,3-dihydroquinazolin-4-one
CasNumber:
1820741-21-6
MolecularFormula:
C11H14N2O2
MolecularWeight:
206.2411
MdlNumber:
MFCD27936850
Smiles:
COc1ccc2c(c1)C(=O)NC(N2)(C)C
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC(C1)S(=O)(=O)CC1CC1)OC(C)(C)C
Complexity: 422
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC(C1)S(=O)(=O)CC1CC1)OC(C)(C)C
Complexity:
422
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AI41072
ChemicalName: 2-(Benzyloxy)-4-bromo-1-methanesulfonylbenzene
CasNumber: 1820741-30-7
MolecularFormula: C14H13BrO3S
MolecularWeight: 341.2202
MdlNumber: MFCD26383431
Smiles: Brc1ccc(c(c1)OCc1ccccc1)S(=O)(=O)C
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AI41072
ChemicalName:
2-(Benzyloxy)-4-bromo-1-methanesulfonylbenzene
CasNumber:
1820741-30-7
MolecularFormula:
C14H13BrO3S
MolecularWeight:
341.2202
MdlNumber:
MFCD26383431
Smiles:
Brc1ccc(c(c1)OCc1ccccc1)S(=O)(=O)C
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.3