N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H22FNO2S — CID 107327301

IUPACN-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C15H22FNO2S/c1-10-8-12(16)9-11(2)14(10)20(18,19)17-13-6-5-7-15(13,3)4/h8-9,13,17H,5-7H2,1-4H3
InChIKeyNQLZOEJJZCXWLD-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.30
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107327301) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107327301
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C15H22FNO2S/c1-10-8-12(16)9-11(2)14(10)20(18,19)17-13-6-5-7-15(13,3)4/h8-9,13,17H,5-7H2,1-4H3
InChIKeyNQLZOEJJZCXWLD-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide
CID 103171642
4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 107327543
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986
4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 107327467
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861380
N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329314
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107327301) is N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is NQLZOEJJZCXWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-10-8-12(16)9-11(2)14(10)20(18,19)17-13-6-5-7-15(13,3)4/h8-9,13,17H,5-7H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 299.41 g/mol, XLogP of 3.30, 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)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).