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

C13H19FN2O2S — CID 79861785

IUPAC2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O2S/c1-13(2)7-3-4-12(13)16-19(17,18)11-6-5-9(14)8-10(11)15/h5-6,8,12,16H,3-4,7,15H2,1-2H3
InChIKeyFJCHJPNVFYULMH-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.26
Rot. Bonds3

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

2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide (PubChem CID 79861785) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
PubChem CID79861785
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O2S/c1-13(2)7-3-4-12(13)16-19(17,18)11-6-5-9(14)8-10(11)15/h5-6,8,12,16H,3-4,7,15H2,1-2H3
InChIKeyFJCHJPNVFYULMH-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
2-amino-N-(2,2-dimethylcyclopentyl)-4-nitrobenzenesulfonamide
CID 79870556
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393
4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 79861704
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861380
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79872231
3-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 115993737
1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 79860994

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide (CID 79861785) is 2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide is CC1(C)CCCC1NS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The InChIKey is FJCHJPNVFYULMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-13(2)7-3-4-12(13)16-19(17,18)11-6-5-9(14)8-10(11)15/h5-6,8,12,16H,3-4,7,15H2,1-2H3.
What are the key properties of 2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 79861785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).