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

C14H11NO6S — CID 763907

IUPAC2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C14H11NO6S/c16-13(17)9-5-7-10(8-6-9)22(20,21)15-12-4-2-1-3-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKeyGQROLTMRNWCZJF-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.88
Rot. Bonds5

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

2-[(4-carboxyphenyl)sulfonylamino]benzoic acid (PubChem CID 763907) has the molecular formula C14H11NO6S and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-[(4-carboxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
PubChem CID763907
Molecular FormulaC14H11NO6S
Molecular Weight321.31 g/mol
Exact Mass321.03
IUPAC Name2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C14H11NO6S/c16-13(17)9-5-7-10(8-6-9)22(20,21)15-12-4-2-1-3-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKeyGQROLTMRNWCZJF-UHFFFAOYSA-N
XLogP1.88
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
2-[[2-[[4-(fluoromethyl)phenyl]sulfonylamino]benzoyl]amino]benzoic acid
CID 59047860
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 3768669
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833135
4-(1H-indol-7-ylsulfamoyl)benzoic acid
CID 22228599
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 64607834
2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68687615

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carboxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(4-carboxyphenyl)sulfonylamino]benzoic acid (CID 763907) is 2-[(4-carboxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(4-carboxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(4-carboxyphenyl)sulfonylamino]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-carboxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is GQROLTMRNWCZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6S/c16-13(17)9-5-7-10(8-6-9)22(20,21)15-12-4-2-1-3-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-carboxyphenyl)sulfonylamino]benzoic acid?
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid has a molecular weight of 321.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carboxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 763907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).