3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid

C14H18FNO4S — CID 114543620

IUPAC3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H18FNO4S/c1-8-3-4-11(5-8)16-21(19,20)13-7-10(14(17)18)6-12(15)9(13)2/h6-8,11,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyDLOWPIYMNAHSEQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.30
Rot. Bonds4

About 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid

3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid (PubChem CID 114543620) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
PubChem CID114543620
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H18FNO4S/c1-8-3-4-11(5-8)16-21(19,20)13-7-10(14(17)18)6-12(15)9(13)2/h6-8,11,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyDLOWPIYMNAHSEQ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 43510377
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543676
4-bromo-3-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543645
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43317213
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
3-(cyclohexylsulfamoyl)-4,5-dimethylbenzoic acid
CID 43080100
3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid
CID 104654330
N-[3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetamide
CID 114545154
3-fluoro-4-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 61225216
2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543624
3-[(2,6-difluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71941450

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid (CID 114543620) is 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid is Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)NC1CCC(C)C1.
What is the InChIKey of 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is DLOWPIYMNAHSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-8-3-4-11(5-8)16-21(19,20)13-7-10(14(17)18)6-12(15)9(13)2/h6-8,11,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 114543620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).