4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide

C15H23ClN2O2S — CID 65028343

IUPAC4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2(CCl)CCCCC2)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-18(2)21(19,20)14-8-6-13(7-9-14)17-15(12-16)10-4-3-5-11-15/h6-9,17H,3-5,10-12H2,1-2H3
InChIKeyJDRKFJHUSZGZHU-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.29
Rot. Bonds5

About 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide

4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 65028343) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID65028343
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2(CCl)CCCCC2)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-18(2)21(19,20)14-8-6-13(7-9-14)17-15(12-16)10-4-3-5-11-15/h6-9,17H,3-5,10-12H2,1-2H3
InChIKeyJDRKFJHUSZGZHU-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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-(chloromethyl)oxan-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 106300134
4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide
CID 63761192
1-[4-(dimethylsulfamoyl)anilino]cyclobutane-1-carboxylic acid
CID 81165374
N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
CID 55243938
6-[[1-(aminomethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341465
[1-(4-methylsulfonylanilino)cyclopentyl]methanol
CID 55082586
4-[[1-chloro-2-(chloromethyl)butan-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 107867296
1-amino-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60866670
[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
CID 62519924
N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline
CID 113488863
[1-(4-propylsulfonylanilino)cyclohexyl]methanol
CID 62520983
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide (CID 65028343) is 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NC2(CCl)CCCCC2)cc1.
What is the InChIKey of 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JDRKFJHUSZGZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-18(2)21(19,20)14-8-6-13(7-9-14)17-15(12-16)10-4-3-5-11-15/h6-9,17H,3-5,10-12H2,1-2H3.
What are the key properties of 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide?
4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(chloromethyl)cyclohexyl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 65028343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).