2-[(4-acetamidophenyl)sulfonylamino]benzoic acid

C15H14N2O5S — CID 3863821

IUPAC2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O5S/c1-10(18)16-11-6-8-12(9-7-11)23(21,22)17-14-5-3-2-4-13(14)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20)
InChIKeyPLPHKOWBVINJBY-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.14
Rot. Bonds5

About 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid

2-[(4-acetamidophenyl)sulfonylamino]benzoic acid (PubChem CID 3863821) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
PubChem CID3863821
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O5S/c1-10(18)16-11-6-8-12(9-7-11)23(21,22)17-14-5-3-2-4-13(14)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20)
InChIKeyPLPHKOWBVINJBY-UHFFFAOYSA-N
XLogP2.14
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069
2-[(4-acetamidophenyl)sulfonylamino]-5-sulfobenzoic acid
CID 3753672
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
1-[(4-acetamidophenyl)sulfonylamino]-2-(sulfinoamino)oxycarbonylbenzene
CID 123662149
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate
CID 1290039
CID 170843062
CID 170843062
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2975645

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid (CID 3863821) is 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid?
The InChIKey is PLPHKOWBVINJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-10(18)16-11-6-8-12(9-7-11)23(21,22)17-14-5-3-2-4-13(14)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid?
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid has a molecular weight of 334.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 3863821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).