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

2-(Propylsulfamoyl)benzoic acid
CID 21497848
2-(Butylsulfamoyl)benzoic acid
CID 21542156
2-(Pentylsulfamoyl)benzoic acid
CID 68602550
3-[(Propan-2-yl)sulfamoyl]benzoic acid
CID 2103972
3-(cyclopropylsulfamoyl)benzoic Acid
CID 4962127
3-[(1-Carboxy-3-methylbutyl)sulfamoyl]benzoic acid
CID 3898544
3-[2-(2-Fluorophenyl)ethylsulfamoyl]benzoic acid
CID 45415196
3-[2-(4-Methylphenyl)ethylsulfamoyl]benzoic acid
CID 71451743
3-(Ethylsulfamoyl)benzoic acid
CID 52267
5-(Ethylsulfamoyl)-2-fluorobenzoic acid
CID 1252098
4-Methyl-3-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}benzoic acid
CID 2959664
3-(Butylsulfamoyl)-2,6-difluorobenzoic acid
CID 4303812

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).