2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide

C14H20ClNO2S — CID 114264300

IUPAC2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccccc2CCl)C1
InChIInChI=1S/C14H20ClNO2S/c1-11-5-4-7-13(9-11)16-19(17,18)14-8-3-2-6-12(14)10-15/h2-3,6,8,11,13,16H,4-5,7,9-10H2,1H3
InChIKeyODHJJXRRQNDXCO-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.28
Rot. Bonds4

About 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide

2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 114264300) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID114264300
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccccc2CCl)C1
InChIInChI=1S/C14H20ClNO2S/c1-11-5-4-7-13(9-11)16-19(17,18)14-8-3-2-6-12(14)10-15/h2-3,6,8,11,13,16H,4-5,7,9-10H2,1H3
InChIKeyODHJJXRRQNDXCO-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027406
2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551992
4-(2-chloroethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 43662590
2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114264422
2-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 63742810
2-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 43456995
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551624
5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
CID 43454559
2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 47257511
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 60809111

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide (CID 114264300) is 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(NS(=O)(=O)c2ccccc2CCl)C1.
What is the InChIKey of 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is ODHJJXRRQNDXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-11-5-4-7-13(9-11)16-19(17,18)14-8-3-2-6-12(14)10-15/h2-3,6,8,11,13,16H,4-5,7,9-10H2,1H3.
What are the key properties of 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 301.84 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 114264300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).