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

C13H18FNO2S — CID 79833951

IUPACN-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-13(2)9-5-8-12(13)15-18(16,17)11-7-4-3-6-10(11)14/h3-4,6-7,12,15H,5,8-9H2,1-2H3
InChIKeyVPKRQZGHWMHSFR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.68
Rot. Bonds3

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

N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide (PubChem CID 79833951) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
PubChem CID79833951
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-13(2)9-5-8-12(13)15-18(16,17)11-7-4-3-6-10(11)14/h3-4,6-7,12,15H,5,8-9H2,1-2H3
InChIKeyVPKRQZGHWMHSFR-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79872231
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
3-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 115993737
6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79847568
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 79861704
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide (CID 79833951) is N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide is CC1(C)CCCC1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide?
The InChIKey is VPKRQZGHWMHSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-13(2)9-5-8-12(13)15-18(16,17)11-7-4-3-6-10(11)14/h3-4,6-7,12,15H,5,8-9H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide?
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 79833951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).