3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid

C12H13F2NO4S — CID 104654330

IUPAC3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(F)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C12H13F2NO4S/c13-9-5-7(12(16)17)6-10(11(9)14)20(18,19)15-8-3-1-2-4-8/h5-6,8,15H,1-4H2,(H,16,17)
InChIKeyKGVABMBSAXRBJC-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.88
Rot. Bonds4

About 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid

3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid (PubChem CID 104654330) has the molecular formula C12H13F2NO4S and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid
PubChem CID104654330
Molecular FormulaC12H13F2NO4S
Molecular Weight305.30 g/mol
Exact Mass305.05
IUPAC Name3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(F)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C12H13F2NO4S/c13-9-5-7(12(16)17)6-10(11(9)14)20(18,19)15-8-3-1-2-4-8/h5-6,8,15H,1-4H2,(H,16,17)
InChIKeyKGVABMBSAXRBJC-UHFFFAOYSA-N
XLogP1.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 43510377
3-(cyclohexylsulfamoyl)-4,5-dimethylbenzoic acid
CID 43080100
3,4-difluoro-5-(methylsulfamoyl)benzoic acid
CID 105111222
5-(aminomethyl)-N-cyclopentyl-2,3-difluorobenzenesulfonamide
CID 105120152
3,4-difluoro-5-[(1-methylcyclopentyl)sulfamoyl]benzoic acid
CID 105113952
3-(cyanosulfamoyl)-4,5-difluorobenzoic acid
CID 105114915
3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
3-fluoro-4-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79187645
3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543620
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid (CID 104654330) is 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid is O=C(O)c1cc(F)c(F)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid?
The InChIKey is KGVABMBSAXRBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4S/c13-9-5-7(12(16)17)6-10(11(9)14)20(18,19)15-8-3-1-2-4-8/h5-6,8,15H,1-4H2,(H,16,17).
What are the key properties of 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid?
3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid has a molecular weight of 305.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid is sourced from PubChem (CID 104654330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).