2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide

C13H19FN2O2S — CID 64907541

IUPAC2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(F)ccc2N)C1C
InChIInChI=1S/C13H19FN2O2S/c1-8-3-6-12(9(8)2)16-19(17,18)13-7-10(14)4-5-11(13)15/h4-5,7-9,12,16H,3,6,15H2,1-2H3
InChIKeyQFVMOLWIPBLIDF-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide

2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide (PubChem CID 64907541) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
PubChem CID64907541
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(F)ccc2N)C1C
InChIInChI=1S/C13H19FN2O2S/c1-8-3-6-12(9(8)2)16-19(17,18)13-7-10(14)4-5-11(13)15/h4-5,7-9,12,16H,3,6,15H2,1-2H3
InChIKeyQFVMOLWIPBLIDF-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
4-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64923066
5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909057
2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 106491289
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
2-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64923261
4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
CID 79178105
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
5-amino-N-(2,3-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 64923648
N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide
CID 64922831
5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 61113212

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide (CID 64907541) is 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide is CC1CCC(NS(=O)(=O)c2cc(F)ccc2N)C1C.
What is the InChIKey of 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide?
The InChIKey is QFVMOLWIPBLIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-8-3-6-12(9(8)2)16-19(17,18)13-7-10(14)4-5-11(13)15/h4-5,7-9,12,16H,3,6,15H2,1-2H3.
What are the key properties of 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide?
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 64907541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).