5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid

C15H12ClNO4S — CID 2801956

IUPAC5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid
SMILESCNC(=O)c1ccccc1S(=O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H12ClNO4S/c1-17-14(18)10-4-2-3-5-12(10)22(21)13-7-6-9(16)8-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNSWZJOYOMIMWGY-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.56
Rot. Bonds4

About 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid

5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid (PubChem CID 2801956) has the molecular formula C15H12ClNO4S and a molecular weight of 337.78 g/mol. Its IUPAC name is 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid
PubChem CID2801956
Molecular FormulaC15H12ClNO4S
Molecular Weight337.78 g/mol
Exact Mass337.02
IUPAC Name5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid
SMILESCNC(=O)c1ccccc1S(=O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H12ClNO4S/c1-17-14(18)10-4-2-3-5-12(10)22(21)13-7-6-9(16)8-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNSWZJOYOMIMWGY-UHFFFAOYSA-N
XLogP2.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic 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

2-({2-[(4-Chlorobenzyl)amino]-2-oxoethyl}sulfanyl)benzoic acid
CID 901321
2-[2-(hydroxymethyl)phenyl]sulfinyl-N-methylbenzamide
CID 2824944
3-chloro-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-5-fluoro-4-(hydroxymethyl)benzamide
CID 130177528
2-[(R)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoic acid
CID 134872624
[2-[4-Chloro-2-(methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate
CID 2729077
5-Chloro-2-[2-(methylcarbamoyl)phenyl]sulfanylbenzoic acid
CID 2801935
2-[2-(Acetamidomethyl)phenyl]sulfinylbenzoic acid
CID 2801951
2-[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl]sulfanylbenzoate
CID 7230568
2-[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl]sulfanylbenzoic acid
CID 24044017
2-[4-chloro-2-(1-hydroxyethyl)phenyl]sulfanyl-N,N-dimethylbenzamide
CID 53831473
4-[[4-(2-Tert-butyl-4-chlorophenyl)sulfanyl-3-methylbutyl]carbamoyl]benzoic acid
CID 57647192
4-[4-[2-[(2-Butylsulfanyl-5-chlorobenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid?
The IUPAC name of 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid (CID 2801956) is 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid.
What is the SMILES notation for 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid?
The canonical SMILES for 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid is CNC(=O)c1ccccc1S(=O)c1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid?
The InChIKey is NSWZJOYOMIMWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4S/c1-17-14(18)10-4-2-3-5-12(10)22(21)13-7-6-9(16)8-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid?
5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid has a molecular weight of 337.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid is sourced from PubChem (CID 2801956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).