4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid

C14H10ClNO5S — CID 164925854

IUPAC4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C14H10ClNO5S/c15-22(20,21)12-7-3-9(4-8-12)13(17)16-11-5-1-10(2-6-11)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyOLNYFHPDYZCQRQ-UHFFFAOYSA-N
MW339.76 g/mol
LogP2.56
Rot. Bonds4

About 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid

4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid (PubChem CID 164925854) has the molecular formula C14H10ClNO5S and a molecular weight of 339.76 g/mol. Its IUPAC name is 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
PubChem CID164925854
Molecular FormulaC14H10ClNO5S
Molecular Weight339.76 g/mol
Exact Mass339.00
IUPAC Name4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C14H10ClNO5S/c15-22(20,21)12-7-3-9(4-8-12)13(17)16-11-5-1-10(2-6-11)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyOLNYFHPDYZCQRQ-UHFFFAOYSA-N
XLogP2.56
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid
CID 22456332
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
CID 86231405
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844
4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
CID 102014802
4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
CID 87188677
4-(pyridine-4-carbonylamino)benzenesulfonic acid
CID 25248911

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid (CID 164925854) is 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid?
The InChIKey is OLNYFHPDYZCQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5S/c15-22(20,21)12-7-3-9(4-8-12)13(17)16-11-5-1-10(2-6-11)14(18)19/h1-8H,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid?
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid has a molecular weight of 339.76 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 164925854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).