2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide

C15H23ClN2O2S — CID 106126119

IUPAC2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCC1CCC(Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-18(2)21(19,20)15-6-4-3-5-14(15)17-11-12-7-9-13(16)10-8-12/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyGLDRRAXWYSYSEA-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.15
Rot. Bonds5

About 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide

2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 106126119) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID106126119
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCC1CCC(Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-18(2)21(19,20)15-6-4-3-5-14(15)17-11-12-7-9-13(16)10-8-12/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyGLDRRAXWYSYSEA-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106125831
2-(2-cyclopentylethylamino)-N,N-dimethylbenzenesulfonamide
CID 60920166
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318
2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63759663
2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 65029451
2-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43383449
2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
CID 60972017
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494
2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 106130341
4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 106129965
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217
N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
CID 79562680

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 106126119) is 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCC1CCC(Cl)CC1.
What is the InChIKey of 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GLDRRAXWYSYSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-18(2)21(19,20)15-6-4-3-5-14(15)17-11-12-7-9-13(16)10-8-12/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 106126119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).