2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide

C13H17Cl2NO2S — CID 39116250

IUPAC2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-8-7-10(14)9-12(13)15/h7-9,11H,2-6H2,1H3
InChIKeyOCPSOZXXEGPAQN-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.95
Rot. Bonds3

About 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide

2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide (PubChem CID 39116250) has the molecular formula C13H17Cl2NO2S and a molecular weight of 322.26 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
PubChem CID39116250
Molecular FormulaC13H17Cl2NO2S
Molecular Weight322.26 g/mol
Exact Mass321.04
IUPAC Name2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-8-7-10(14)9-12(13)15/h7-9,11H,2-6H2,1H3
InChIKeyOCPSOZXXEGPAQN-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide
CID 90164879
4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118122
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide (CID 39116250) is 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide?
The InChIKey is OCPSOZXXEGPAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-8-7-10(14)9-12(13)15/h7-9,11H,2-6H2,1H3.
What are the key properties of 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide?
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide has a molecular weight of 322.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 39116250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).