N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide

C14H21ClN2O2S — CID 79121392

IUPACN-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-10-9-11(15)3-8-14(10)20(18,19)17(2)13-6-4-12(16)5-7-13/h3,8-9,12-13H,4-7,16H2,1-2H3
InChIKeyIOKIKZOWBXBPJP-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.54
Rot. Bonds3

About N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide

N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide (PubChem CID 79121392) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
PubChem CID79121392
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-10-9-11(15)3-8-14(10)20(18,19)17(2)13-6-4-12(16)5-7-13/h3,8-9,12-13H,4-7,16H2,1-2H3
InChIKeyIOKIKZOWBXBPJP-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-4-chloro-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

4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118122
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829061
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099464
N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 79120752
2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63402365
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
N-(4-aminocyclohexyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 79113445
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide (CID 79121392) is N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)N(C)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide?
The InChIKey is IOKIKZOWBXBPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-9-11(15)3-8-14(10)20(18,19)17(2)13-6-4-12(16)5-7-13/h3,8-9,12-13H,4-7,16H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide?
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 79121392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).