3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid

C14H11ClN2O5S — CID 1144108

IUPAC3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H11ClN2O5S/c15-12-5-4-10(23(16,21)22)7-11(12)13(18)17-9-3-1-2-8(6-9)14(19)20/h1-7H,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyDPCIQCOMSPNPCR-UHFFFAOYSA-N
MW354.77 g/mol
LogP1.94
Rot. Bonds4

About 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid

3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid (PubChem CID 1144108) has the molecular formula C14H11ClN2O5S and a molecular weight of 354.77 g/mol. Its IUPAC name is 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
PubChem CID1144108
Molecular FormulaC14H11ClN2O5S
Molecular Weight354.77 g/mol
Exact Mass354.01
IUPAC Name3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H11ClN2O5S/c15-12-5-4-10(23(16,21)22)7-11(12)13(18)17-9-3-1-2-8(6-9)14(19)20/h1-7H,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyDPCIQCOMSPNPCR-UHFFFAOYSA-N
XLogP1.94
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide
CID 56511851
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
3-[[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356397
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
sodium;2-chloro-5-sulfamoylbenzoic acid;hydride
CID 174663116

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid (CID 1144108) is 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid is NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid?
The InChIKey is DPCIQCOMSPNPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O5S/c15-12-5-4-10(23(16,21)22)7-11(12)13(18)17-9-3-1-2-8(6-9)14(19)20/h1-7H,(H,17,18)(H,19,20)(H2,16,21,22).
What are the key properties of 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid?
3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid has a molecular weight of 354.77 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 1144108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).