2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid

C14H18ClNO4S — CID 43082280

IUPAC2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1
InChIInChI=1S/C14H18ClNO4S/c1-9-2-4-10(5-3-9)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)
InChIKeyIJGFPWZTWYUEEO-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.90
Rot. Bonds4

About 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid

2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid (PubChem CID 43082280) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
PubChem CID43082280
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1
InChIInChI=1S/C14H18ClNO4S/c1-9-2-4-10(5-3-9)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)
InChIKeyIJGFPWZTWYUEEO-UHFFFAOYSA-N
XLogP2.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543624
2-(butylamino)-5-(cyclopropylsulfamoyl)benzoic acid
CID 99982792
4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid
CID 68756811
2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid
CID 107090176
2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62961818
2-chloro-4-[(3-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 114546629
2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
CID 83004774
2-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 79188651
N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
CID 5178972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid (CID 43082280) is 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid is CC1CCC(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1.
What is the InChIKey of 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
The InChIKey is IJGFPWZTWYUEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-9-2-4-10(5-3-9)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid has a molecular weight of 331.82 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43082280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).