N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide

C10H20ClNO2S — CID 63396472

IUPACN-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C10H20ClNO2S/c1-9(2)15(13,14)12(8-7-11)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyKOLZTXWVJOJCAS-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.21
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide

N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide (PubChem CID 63396472) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide
PubChem CID63396472
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C10H20ClNO2S/c1-9(2)15(13,14)12(8-7-11)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyKOLZTXWVJOJCAS-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.21
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-cyclopentylpropane-2-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide (CID 63396472) is N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide?
The InChIKey is KOLZTXWVJOJCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-9(2)15(13,14)12(8-7-11)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide?
N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.21, 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-cyclopentylpropane-2-sulfonamide is sourced from PubChem (CID 63396472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).