N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide

C8H16ClNO2S — CID 63396426

IUPACN-(2-chloroethyl)-N-cyclopentylmethanesulfonamide
SMILESCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C8H16ClNO2S/c1-13(11,12)10(7-6-9)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyNQSJSDOAJJKSPR-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.43
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide

N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide (PubChem CID 63396426) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentylmethanesulfonamide
PubChem CID63396426
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC NameN-(2-chloroethyl)-N-cyclopentylmethanesulfonamide
SMILESCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C8H16ClNO2S/c1-13(11,12)10(7-6-9)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyNQSJSDOAJJKSPR-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.43
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-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 63396639
N-cyclopentyl-N-ethylmethanesulfonamide
CID 58540435
(2S)-2-(chloromethyl)-1-methylsulfonylpyrrolidine
CID 28347799
3-chloro-N-cyclopentyl-N-ethylpropane-1-sulfonamide
CID 43654396
3-chloro-N-cyclopentyl-N-methylpropane-1-sulfonamide
CID 43654529
N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine
CID 55187453
N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine
CID 55187832
3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide
CID 60959062
N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclopentanamine
CID 63388997
N-(2-chloroethyl)-N-cyclopentylpropane-2-sulfonamide
CID 63396472
N-(2-chloroethyl)-N-cyclopentylpropane-1-sulfonamide
CID 63396510
N-(2-chloroethyl)-N-cyclopentylbutane-1-sulfonamide
CID 63396512

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide (CID 63396426) is N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide is CS(=O)(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide?
The InChIKey is NQSJSDOAJJKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-13(11,12)10(7-6-9)8-4-2-3-5-8/h8H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide?
N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide has a molecular weight of 225.74 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentylmethanesulfonamide is sourced from PubChem (CID 63396426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).