N-(2-chloroethyl)-N-cyclopentylethanesulfonamide

C9H18ClNO2S — CID 63396513

IUPACN-(2-chloroethyl)-N-cyclopentylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C9H18ClNO2S/c1-2-14(12,13)11(8-7-10)9-5-3-4-6-9/h9H,2-8H2,1H3
InChIKeyUPDIGAILWGVZKI-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.82
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopentylethanesulfonamide

N-(2-chloroethyl)-N-cyclopentylethanesulfonamide (PubChem CID 63396513) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentylethanesulfonamide
PubChem CID63396513
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-(2-chloroethyl)-N-cyclopentylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C9H18ClNO2S/c1-2-14(12,13)11(8-7-10)9-5-3-4-6-9/h9H,2-8H2,1H3
InChIKeyUPDIGAILWGVZKI-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.82
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-(3-chlorobutanesulfonyl)-2-methylpyrrolidine
CID 13468222
N-(2-chloroethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058664
2-chloro-N-ethyl-N-pentylethanesulfonamide
CID 88604330
2-chloro-N-ethyl-N-hexylethanesulfonamide
CID 88604331
N-butyl-3-chloro-N-propan-2-ylpropane-1-sulfonamide
CID 89281605
(2S)-2-(chloromethyl)-1-ethylsulfonylpyrrolidine
CID 28347800
(2S)-2-(chloromethyl)-1-propylsulfonylpyrrolidine
CID 28347801
(2S)-1-butylsulfonyl-2-(chloromethyl)pyrrolidine
CID 28347802
3-chloro-N-methyl-N-pentylpropane-1-sulfonamide
CID 43653843
3-chloro-N-methyl-N-pentan-3-ylpropane-1-sulfonamide
CID 43653882
3-chloro-N-methyl-N-pentan-2-ylpropane-1-sulfonamide
CID 43653897
3-chloro-N-cyclopentyl-N-ethylpropane-1-sulfonamide
CID 43654396

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentylethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentylethanesulfonamide (CID 63396513) is N-(2-chloroethyl)-N-cyclopentylethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentylethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentylethanesulfonamide is CCS(=O)(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentylethanesulfonamide?
The InChIKey is UPDIGAILWGVZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-2-14(12,13)11(8-7-10)9-5-3-4-6-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentylethanesulfonamide?
N-(2-chloroethyl)-N-cyclopentylethanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentylethanesulfonamide is sourced from PubChem (CID 63396513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).