2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide

C14H20ClNO2S — CID 114264330

IUPAC2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCC1)c1ccccc1CCl
InChIInChI=1S/C14H20ClNO2S/c15-11-13-7-3-4-8-14(13)19(17,18)16-10-9-12-5-1-2-6-12/h3-4,7-8,12,16H,1-2,5-6,9-11H2
InChIKeyZTIJBVBUESWRMJ-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.28
Rot. Bonds6

About 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide

2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide (PubChem CID 114264330) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide
PubChem CID114264330
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCC1)c1ccccc1CCl
InChIInChI=1S/C14H20ClNO2S/c15-11-13-7-3-4-8-14(13)19(17,18)16-10-9-12-5-1-2-6-12/h3-4,7-8,12,16H,1-2,5-6,9-11H2
InChIKeyZTIJBVBUESWRMJ-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
2-chloro-N-(2-cyclohexylethyl)pyridine-3-sulfonamide
CID 54932567
3-amino-N-(2-cyclopentylethyl)-2-nitrobenzenesulfonamide
CID 115993447
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958186
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide
CID 114264441
2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 114264300
3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
CID 114379038
N-[2-(4-bromocyclohexyl)ethyl]-2-nitrobenzenesulfonamide
CID 171743231
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide?
The IUPAC name of 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide (CID 114264330) is 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide is O=S(=O)(NCCC1CCCC1)c1ccccc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide?
The InChIKey is ZTIJBVBUESWRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c15-11-13-7-3-4-8-14(13)19(17,18)16-10-9-12-5-1-2-6-12/h3-4,7-8,12,16H,1-2,5-6,9-11H2.
What are the key properties of 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide?
2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide has a molecular weight of 301.84 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide is sourced from PubChem (CID 114264330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).