N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide

C13H24ClNO2S — CID 63396557

IUPACN-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(CCCl)C1CCCC1
InChIInChI=1S/C13H24ClNO2S/c14-10-11-15(12-6-4-5-7-12)18(16,17)13-8-2-1-3-9-13/h12-13H,1-11H2
InChIKeyMOCMTVAQHNQYFY-UHFFFAOYSA-N
MW293.86 g/mol
LogP3.13
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide

N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide (PubChem CID 63396557) has the molecular formula C13H24ClNO2S and a molecular weight of 293.86 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide
PubChem CID63396557
Molecular FormulaC13H24ClNO2S
Molecular Weight293.86 g/mol
Exact Mass293.12
IUPAC NameN-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(CCCl)C1CCCC1
InChIInChI=1S/C13H24ClNO2S/c14-10-11-15(12-6-4-5-7-12)18(16,17)13-8-2-1-3-9-13/h12-13H,1-11H2
InChIKeyMOCMTVAQHNQYFY-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 53.13
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-4,4,4-trifluorobutane-1-sulfonamide
CID 83058664
N-(2-chloroethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058808
3-chloro-N,N-dicyclohexylpropane-1-sulfonamide
CID 43653962
3-chloro-N-cyclopentyl-N-ethylpropane-1-sulfonamide
CID 43654396
3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide
CID 43654418
3-chloro-N-cyclohexyl-N-ethylpropane-1-sulfonamide
CID 43654424
3-chloro-N-cyclopentyl-N-methylpropane-1-sulfonamide
CID 43654529
N-(2-chloroethyl)-N-pentan-3-ylcyclohexanesulfonamide
CID 55187273
N-(2-chloroethyl)-N-cyclohexyl-3-methoxypropane-1-sulfonamide
CID 55188015
N-(2-chloroethyl)-N-cyclohexylbutane-1-sulfonamide
CID 55188016
N-(2-chloroethyl)-N-cyclohexyl-2-methylsulfonylethanesulfonamide
CID 55188208
N-(2-chloroethyl)-N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 55234021

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide (CID 63396557) is N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide is O=S(=O)(C1CCCCC1)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide?
The InChIKey is MOCMTVAQHNQYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2S/c14-10-11-15(12-6-4-5-7-12)18(16,17)13-8-2-1-3-9-13/h12-13H,1-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide?
N-(2-chloroethyl)-N-cyclopentylcyclohexanesulfonamide has a molecular weight of 293.86 g/mol, XLogP of 3.13, 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-cyclopentylcyclohexanesulfonamide is sourced from PubChem (CID 63396557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).