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

C15H23ClN2O2S — CID 106125831

IUPAC4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC2CCC(Cl)CC2)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-18(2)21(19,20)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h7-10,12-13,17H,3-6,11H2,1-2H3
InChIKeyLFFRVHGACYGGCK-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.15
Rot. Bonds5

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

4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 106125831) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID106125831
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC2CCC(Cl)CC2)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-18(2)21(19,20)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h7-10,12-13,17H,3-6,11H2,1-2H3
InChIKeyLFFRVHGACYGGCK-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

2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106126119
2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 60867627
4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 64910626
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 63827194
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106130891
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
4-methylsulfonyl-N-(thian-4-ylmethyl)aniline
CID 113412268

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 106125831) is 4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCC2CCC(Cl)CC2)cc1.
What is the InChIKey of 4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is LFFRVHGACYGGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-18(2)21(19,20)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h7-10,12-13,17H,3-6,11H2,1-2H3.
What are the key properties of 4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide?
4-[(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 4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 106125831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).