2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid

C14H18FNO4S — CID 43081703

IUPAC2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H18FNO4S/c1-9-4-2-3-5-13(9)16-21(19,20)10-6-7-12(15)11(8-10)14(17)18/h6-9,13,16H,2-5H2,1H3,(H,17,18)
InChIKeyKTTIFLFJPTVZJP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.38
Rot. Bonds4

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

2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid (PubChem CID 43081703) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
PubChem CID43081703
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H18FNO4S/c1-9-4-2-3-5-13(9)16-21(19,20)10-6-7-12(15)11(8-10)14(17)18/h6-9,13,16H,2-5H2,1H3,(H,17,18)
InChIKeyKTTIFLFJPTVZJP-UHFFFAOYSA-N
XLogP2.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 4190481
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
2-fluoro-N-(2-methoxyphenyl)-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 15995932
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
2-fluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65044578
2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
CID 104654715
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid (CID 43081703) is 2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid is CC1CCCCC1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid?
The InChIKey is KTTIFLFJPTVZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-9-4-2-3-5-13(9)16-21(19,20)10-6-7-12(15)11(8-10)14(17)18/h6-9,13,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid?
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43081703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).