4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C15H23ClN2O2S — CID 79118122

IUPAC4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2C)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-11-10-12(16)4-9-15(11)21(19,20)18(3)14-7-5-13(17-2)6-8-14/h4,9-10,13-14,17H,5-8H2,1-3H3
InChIKeyDQSODXBWHALNJZ-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.80
Rot. Bonds4

About 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79118122) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79118122
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2C)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-11-10-12(16)4-9-15(11)21(19,20)18(3)14-7-5-13(17-2)6-8-14/h4,9-10,13-14,17H,5-8H2,1-3H3
InChIKeyDQSODXBWHALNJZ-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide 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

2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116751
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79110620
3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118279
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63402365
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636
4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79118122) is 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2C)CC1.
What is the InChIKey of 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is DQSODXBWHALNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-11-10-12(16)4-9-15(11)21(19,20)18(3)14-7-5-13(17-2)6-8-14/h4,9-10,13-14,17H,5-8H2,1-3H3.
What are the key properties of 4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.80, 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-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79118122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).