N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide

C13H18FNO2S — CID 64907614

IUPACN-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C13H18FNO2S/c1-9-3-8-13(10(9)2)15-18(16,17)12-6-4-11(14)5-7-12/h4-7,9-10,13,15H,3,8H2,1-2H3
InChIKeyZCKDZOIQKGSKQW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.54
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide

N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide (PubChem CID 64907614) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
PubChem CID64907614
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C13H18FNO2S/c1-9-3-8-13(10(9)2)15-18(16,17)12-6-4-11(14)5-7-12/h4-7,9-10,13,15H,3,8H2,1-2H3
InChIKeyZCKDZOIQKGSKQW-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826095
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 64920857
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 64907541
3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64910233
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
4-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 42958006
4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 98672836
6-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64909491

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide (CID 64907614) is N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(F)cc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The InChIKey is ZCKDZOIQKGSKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-9-3-8-13(10(9)2)15-18(16,17)12-6-4-11(14)5-7-12/h4-7,9-10,13,15H,3,8H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 64907614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).