4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide

C13H18Cl2N2O2S — CID 64909269

IUPAC4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1C
InChIInChI=1S/C13H18Cl2N2O2S/c1-7-3-4-12(8(7)2)17-20(18,19)13-10(14)5-9(16)6-11(13)15/h5-8,12,17H,3-4,16H2,1-2H3
InChIKeyPSADQKMXPLAHGL-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.29
Rot. Bonds3

About 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide (PubChem CID 64909269) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
PubChem CID64909269
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1C
InChIInChI=1S/C13H18Cl2N2O2S/c1-7-3-4-12(8(7)2)17-20(18,19)13-10(14)5-9(16)6-11(13)15/h5-8,12,17H,3-4,16H2,1-2H3
InChIKeyPSADQKMXPLAHGL-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.29
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

4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257649
5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909057
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
CID 61466502
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
5,6-dichloro-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64908038
5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide
CID 64921051
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
5-amino-N-(2,3-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 64923648
5-amino-N-(2,3-dimethylcyclopentyl)-3-methylimidazole-4-sulfonamide
CID 64909714
4-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64923066
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 64907541

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide (CID 64909269) is 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1C.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide?
The InChIKey is PSADQKMXPLAHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-7-3-4-12(8(7)2)17-20(18,19)13-10(14)5-9(16)6-11(13)15/h5-8,12,17H,3-4,16H2,1-2H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 64909269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).