3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide

C13H18ClNO2S — CID 112823940

IUPAC3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C13H18ClNO2S/c1-10-12(14)8-5-9-13(10)18(16,17)15(2)11-6-3-4-7-11/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyWZAWSCRCONPEFJ-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.21
Rot. Bonds3

About 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide

3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide (PubChem CID 112823940) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
PubChem CID112823940
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C13H18ClNO2S/c1-10-12(14)8-5-9-13(10)18(16,17)15(2)11-6-3-4-7-11/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyWZAWSCRCONPEFJ-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118279
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79110620
3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630366
2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635648
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 113351322
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide (CID 112823940) is 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)N(C)C1CCCC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide?
The InChIKey is WZAWSCRCONPEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-10-12(14)8-5-9-13(10)18(16,17)15(2)11-6-3-4-7-11/h5,8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide?
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide has a molecular weight of 287.81 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 112823940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).