4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide

C14H21ClN2O2S — CID 2913618

IUPAC4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide
SMILESCN(C)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-17(2)14-6-4-3-5-13(14)16-20(18,19)12-9-7-11(15)8-10-12/h7-10,13-14,16H,3-6H2,1-2H3
InChIKeyOEHLTMGFSCJGHR-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.49
Rot. Bonds4

About 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide

4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide (PubChem CID 2913618) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide
PubChem CID2913618
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide
SMILESCN(C)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-17(2)14-6-4-3-5-13(14)16-20(18,19)12-9-7-11(15)8-10-12/h7-10,13-14,16H,3-6H2,1-2H3
InChIKeyOEHLTMGFSCJGHR-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide (CID 2913618) is 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide is CN(C)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is OEHLTMGFSCJGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-17(2)14-6-4-3-5-13(14)16-20(18,19)12-9-7-11(15)8-10-12/h7-10,13-14,16H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide?
4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2913618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).