2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid

C13H15ClFNO4S — CID 114543624

IUPAC2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2cc(F)c(Cl)c(C(=O)O)c2)C1
InChIInChI=1S/C13H15ClFNO4S/c1-7-2-3-8(4-7)16-21(19,20)9-5-10(13(17)18)12(14)11(15)6-9/h5-8,16H,2-4H2,1H3,(H,17,18)
InChIKeyITYSTDQOVFVPFF-UHFFFAOYSA-N
MW335.78 g/mol
LogP2.64
Rot. Bonds4

About 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid

2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid (PubChem CID 114543624) has the molecular formula C13H15ClFNO4S and a molecular weight of 335.78 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
PubChem CID114543624
Molecular FormulaC13H15ClFNO4S
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC Name2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2cc(F)c(Cl)c(C(=O)O)c2)C1
InChIInChI=1S/C13H15ClFNO4S/c1-7-2-3-8(4-7)16-21(19,20)9-5-10(13(17)18)12(14)11(15)6-9/h5-8,16H,2-4H2,1H3,(H,17,18)
InChIKeyITYSTDQOVFVPFF-UHFFFAOYSA-N
XLogP2.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]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

2-chloro-3-fluoro-5-(4-methylcyclohexyl)sulfonylbenzoic acid
CID 81451741
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
5-(tert-butylsulfamoyl)-2-chloro-3-fluorobenzoic acid
CID 81461252
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543676
2-chloro-5-(1-cyclopropylpropan-2-ylsulfamoyl)-3-fluorobenzoic acid
CID 81451923
3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543620
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
CID 114546471
4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542865
2-chloro-5-(cyclopropylmethylsulfonyl)-3-fluorobenzoic acid
CID 81461957
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid
CID 104655230

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid (CID 114543624) is 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid is CC1CCC(NS(=O)(=O)c2cc(F)c(Cl)c(C(=O)O)c2)C1.
What is the InChIKey of 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is ITYSTDQOVFVPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO4S/c1-7-2-3-8(4-7)16-21(19,20)9-5-10(13(17)18)12(14)11(15)6-9/h5-8,16H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 335.78 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 114543624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).