3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid

C14H18FNO4S — CID 43510499

IUPAC3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C14H18FNO4S/c1-9-12(15)7-10(14(17)18)8-13(9)21(19,20)16(2)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,17,18)
InChIKeyVVUULOKSOCTNOU-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.40
Rot. Bonds4

About 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid

3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid (PubChem CID 43510499) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
PubChem CID43510499
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C14H18FNO4S/c1-9-12(15)7-10(14(17)18)8-13(9)21(19,20)16(2)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,17,18)
InChIKeyVVUULOKSOCTNOU-UHFFFAOYSA-N
XLogP2.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[cyclobutyl(methyl)sulfamoyl]-4-methylbenzoic acid
CID 104656514
3-cycloheptylsulfonyl-5-fluoro-4-methylbenzoic acid
CID 82927680
3-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid
CID 54876179
4-fluoro-3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]benzoic acid
CID 9160518
4-fluoro-3-[methyl(oxan-4-yl)sulfamoyl]benzoic acid
CID 43610883
3-(cyclopropylmethylsulfonyl)-5-fluoro-4-methylbenzoic acid
CID 43560570
3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 43510377
3-fluoro-4-methyl-5-[methyl(pentyl)sulfamoyl]benzoic acid
CID 43510508
3-chlorosulfonyl-5-fluoro-4-methylbenzoic acid
CID 16775741
2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919407
3-fluoro-5-[3-methoxypropyl(methyl)sulfamoyl]-4-methylbenzoic acid
CID 63008006
5-bromo-3-[cyclopentyl(methyl)sulfamoyl]-2-fluorobenzoic acid
CID 43267075

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid?
The IUPAC name of 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid (CID 43510499) is 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid.
What is the SMILES notation for 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid?
The canonical SMILES for 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid is Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)N(C)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid?
The InChIKey is VVUULOKSOCTNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-9-12(15)7-10(14(17)18)8-13(9)21(19,20)16(2)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid?
3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid is sourced from PubChem (CID 43510499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).