4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide

C15H22ClNO2S — CID 43662724

IUPAC4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C15H22ClNO2S/c1-2-17(14-5-3-4-6-14)20(18,19)15-9-7-13(8-10-15)11-12-16/h7-10,14H,2-6,11-12H2,1H3
InChIKeyLHEXBVIICRUFDQ-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.42
Rot. Bonds6

About 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide

4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide (PubChem CID 43662724) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
PubChem CID43662724
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C15H22ClNO2S/c1-2-17(14-5-3-4-6-14)20(18,19)15-9-7-13(8-10-15)11-12-16/h7-10,14H,2-6,11-12H2,1H3
InChIKeyLHEXBVIICRUFDQ-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-cyclopentyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43541535
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
CID 3319709
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
CID 102873568
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402746
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
CID 60824957
N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43264442
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide (CID 43662724) is 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide is CCN(C1CCCC1)S(=O)(=O)c1ccc(CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide?
The InChIKey is LHEXBVIICRUFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-2-17(14-5-3-4-6-14)20(18,19)15-9-7-13(8-10-15)11-12-16/h7-10,14H,2-6,11-12H2,1H3.
What are the key properties of 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide?
4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide has a molecular weight of 315.87 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43662724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).