N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide

C13H18ClNO2S — CID 114189412

IUPACN-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2Cl)cc1C
InChIInChI=1S/C13H18ClNO2S/c1-9-6-7-11(8-10(9)2)18(16,17)15-13-5-3-4-12(13)14/h6-8,12-13,15H,3-5H2,1-2H3
InChIKeyBKRIIKRKOFPXEQ-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.74
Rot. Bonds3

About N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide

N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 114189412) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
PubChem CID114189412
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2Cl)cc1C
InChIInChI=1S/C13H18ClNO2S/c1-9-6-7-11(8-10(9)2)18(16,17)15-13-5-3-4-12(13)14/h6-8,12-13,15H,3-5H2,1-2H3
InChIKeyBKRIIKRKOFPXEQ-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
CID 65030631
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 129393220
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide
CID 106444263
N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
CID 113395199
N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329314
N-(2-bromocyclopentyl)-4-methyl-3-nitrobenzenesulfonamide
CID 80662439
N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide
CID 102638762
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106833406

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide (CID 114189412) is N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCC2Cl)cc1C.
What is the InChIKey of N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is BKRIIKRKOFPXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-9-6-7-11(8-10(9)2)18(16,17)15-13-5-3-4-12(13)14/h6-8,12-13,15H,3-5H2,1-2H3.
What are the key properties of N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide?
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 287.81 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 114189412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).