2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide

C12H15F2NO2S — CID 114545218

IUPAC2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C12H15F2NO2S/c1-8-5-6-9(7-8)15-18(16,17)12-10(13)3-2-4-11(12)14/h2-4,8-9,15H,5-7H2,1H3
InChIKeyOOZPLZBYPHOXGT-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.43
Rot. Bonds3

About 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide

2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114545218) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114545218
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C12H15F2NO2S/c1-8-5-6-9(7-8)15-18(16,17)12-10(13)3-2-4-11(12)14/h2-4,8-9,15H,5-7H2,1H3
InChIKeyOOZPLZBYPHOXGT-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-4-methylbenzene-1-sulfonamide
CID 668752
N-cyclopentyl-2,5-difluorobenzenesulfonamide
CID 6468464
N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide
CID 935294
4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 668999
4-fluoro-N-(3-methylbutyl)benzene-1-sulfonamide
CID 669765
4-Fluoro-N-(propan-2-yl)benzene-1-sulfonamide
CID 799031
N-cyclopentyl-2,4-difluorobenzenesulfonamide
CID 2471611
N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide
CID 2799390
N-bicyclo[2.2.1]hept-2-yl-4-fluorobenzenesulfonamide
CID 2893042
N-(1-amino-2-methylpropan-2-yl)-2,6-difluorobenzenesulfonamide
CID 63194227
N-[(1R,2R)-2-fluorocyclopentyl]-4-methylbenzenesulfonamide
CID 12124064
N-cyclopentylbenzenesulfonamide
CID 1222515

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114545218) is 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is OOZPLZBYPHOXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-8-5-6-9(7-8)15-18(16,17)12-10(13)3-2-4-11(12)14/h2-4,8-9,15H,5-7H2,1H3.
What are the key properties of 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 275.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114545218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).