5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide

C13H19ClN2O2S — CID 64909057

IUPAC5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(N)ccc2Cl)C1C
InChIInChI=1S/C13H19ClN2O2S/c1-8-3-6-12(9(8)2)16-19(17,18)13-7-10(15)4-5-11(13)14/h4-5,7-9,12,16H,3,6,15H2,1-2H3
InChIKeyVIBGSFXOIUIRID-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.64
Rot. Bonds3

About 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide

5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide (PubChem CID 64909057) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
PubChem CID64909057
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(N)ccc2Cl)C1C
InChIInChI=1S/C13H19ClN2O2S/c1-8-3-6-12(9(8)2)16-19(17,18)13-7-10(15)4-5-11(13)14/h4-5,7-9,12,16H,3,6,15H2,1-2H3
InChIKeyVIBGSFXOIUIRID-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2,3-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 64923648
5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64740102
4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909269
5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide
CID 64921051
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chlorobenzenesulfonamide
CID 43102600
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 64907541
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
CID 65207075
5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107843564
5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 61113212
4-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64923066
2-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64923261
5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250243

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide (CID 64909057) is 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2cc(N)ccc2Cl)C1C.
What is the InChIKey of 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide?
The InChIKey is VIBGSFXOIUIRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-8-3-6-12(9(8)2)16-19(17,18)13-7-10(15)4-5-11(13)14/h4-5,7-9,12,16H,3,6,15H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide?
5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 64909057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).