AG32838
500292-07-9 | 3-(Hexylsulfamoyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG32838
ChemicalName
3-(Hexylsulfamoyl)benzoic acid
CasNumber
500292-07-9
MolecularFormula
C13H19NO4S
MolecularWeight
285.3593
MdlNumber
MFCD12543642
Smiles
CCCCCCNS(=O)(=O)c1cccc(c1)C(=O)O
NscNumber
85456
Complexity
375
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
2.7
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CatalogNumber: AG32838
ChemicalName: 3-(Hexylsulfamoyl)benzoic acid
CasNumber: 500292-07-9
MolecularFormula: C13H19NO4S
MolecularWeight: 285.3593
MdlNumber: MFCD12543642
Smiles: CCCCCCNS(=O)(=O)c1cccc(c1)C(=O)O
NscNumber: 85456
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 2.7
CatalogNumber:
AG32838
ChemicalName:
3-(Hexylsulfamoyl)benzoic acid
CasNumber:
500292-07-9
MolecularFormula:
C13H19NO4S
MolecularWeight:
285.3593
MdlNumber:
MFCD12543642
Smiles:
CCCCCCNS(=O)(=O)c1cccc(c1)C(=O)O
NscNumber:
85456
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
2.7
CatalogNumber: AG32839
ChemicalName: 4-(3-Methylphenyl)phenylboronic acid
CasNumber: 501944-56-5
MolecularFormula: C13H13BO2
MolecularWeight: 212.0521
MdlNumber: MFCD08701725
Smiles: Cc1cccc(c1)c1ccc(cc1)B(O)O
NscNumber: __
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AG32839
ChemicalName:
4-(3-Methylphenyl)phenylboronic acid
CasNumber:
501944-56-5
MolecularFormula:
C13H13BO2
MolecularWeight:
212.0521
MdlNumber:
MFCD08701725
Smiles:
Cc1cccc(c1)c1ccc(cc1)B(O)O
NscNumber:
__
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AG32840
ChemicalName: 2-Nitro-N-phenylbenzenesulfonamide
CasNumber: 5454-97-7
MolecularFormula: C12H10N2O4S
MolecularWeight: 278.2838
MdlNumber: MFCD00547842
Smiles: [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccccc1
NscNumber: __
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AG32840
ChemicalName:
2-Nitro-N-phenylbenzenesulfonamide
CasNumber:
5454-97-7
MolecularFormula:
C12H10N2O4S
MolecularWeight:
278.2838
MdlNumber:
MFCD00547842
Smiles:
[O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccccc1
NscNumber:
__
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: AG32841
ChemicalName: 2-Fluoro-4-phenylbenzoic acid
CasNumber: 505082-76-8
MolecularFormula: C13H9FO2
MolecularWeight: 216.2078
MdlNumber: MFCD07779362
Smiles: OC(=O)c1ccc(cc1F)c1ccccc1
NscNumber: __
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AG32841
ChemicalName:
2-Fluoro-4-phenylbenzoic acid
CasNumber:
505082-76-8
MolecularFormula:
C13H9FO2
MolecularWeight:
216.2078
MdlNumber:
MFCD07779362
Smiles:
OC(=O)c1ccc(cc1F)c1ccccc1
NscNumber:
__
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2