5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide

C16H26N2O2S — CID 64761633

IUPAC5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC2CCC(C)CC2C)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-11-5-8-15(13(3)9-11)18-14-7-6-12(2)16(10-14)21(19,20)17-4/h6-7,10-11,13,15,17-18H,5,8-9H2,1-4H3
InChIKeyZUHPFYCTTYNILF-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.14
Rot. Bonds4

About 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide

5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide (PubChem CID 64761633) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide
PubChem CID64761633
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC2CCC(C)CC2C)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-11-5-8-15(13(3)9-11)18-14-7-6-12(2)16(10-14)21(19,20)17-4/h6-7,10-11,13,15,17-18H,5,8-9H2,1-4H3
InChIKeyZUHPFYCTTYNILF-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclopentylamino)-N,2-dimethylbenzenesulfonamide
CID 43717500
5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
CID 43717499
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64776794
5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide
CID 106821362
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359
4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
CID 64776351
2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 80646231
4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64761788
N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-(methylsulfonylmethyl)aniline
CID 129374172
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120618117
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide (CID 64761633) is 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(NC2CCC(C)CC2C)ccc1C.
What is the InChIKey of 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is ZUHPFYCTTYNILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-5-8-15(13(3)9-11)18-14-7-6-12(2)16(10-14)21(19,20)17-4/h6-7,10-11,13,15,17-18H,5,8-9H2,1-4H3.
What are the key properties of 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide?
5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 64761633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).