2-chloro-N-cyclohexyl-N-methylethanesulfonamide

C9H18ClNO2S — CID 60722871

IUPAC2-chloro-N-cyclohexyl-N-methylethanesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)CCCl
InChIInChI=1S/C9H18ClNO2S/c1-11(14(12,13)8-7-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyWBBHUAIHNFHABQ-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.82
Rot. Bonds4

About 2-chloro-N-cyclohexyl-N-methylethanesulfonamide

2-chloro-N-cyclohexyl-N-methylethanesulfonamide (PubChem CID 60722871) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-methylethanesulfonamide
PubChem CID60722871
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name2-chloro-N-cyclohexyl-N-methylethanesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)CCCl
InChIInChI=1S/C9H18ClNO2S/c1-11(14(12,13)8-7-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyWBBHUAIHNFHABQ-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(2-chloroethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058808
Cyclohexyl(ethylsulfonyl)methylamine
CID 17376530
N-cyclohexyl-N-methylpropane-2-sulfonamide
CID 64197061
N-cyclohexyl-N-methylcyclopropanesulfonamide
CID 68306382
N-cyclohexyl-N-pentan-2-ylethanesulfonamide
CID 70990681
N-n-butyl-N-methyl-6-chlorohexanesulfonamide
CID 86756219
2-chloro-N-ethyl-N-nonylethanesulfonamide
CID 88604195
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
N-cyclohexyl-N-methylbutane-1-sulfonamide
CID 19684251
(2R)-1-(3-chloropropylsulfonyl)-2-methylpiperidine
CID 28704636

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-methylethanesulfonamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-methylethanesulfonamide (CID 60722871) is 2-chloro-N-cyclohexyl-N-methylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-methylethanesulfonamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-methylethanesulfonamide is CN(C1CCCCC1)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-methylethanesulfonamide?
The InChIKey is WBBHUAIHNFHABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-11(14(12,13)8-7-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-methylethanesulfonamide?
2-chloro-N-cyclohexyl-N-methylethanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-methylethanesulfonamide is sourced from PubChem (CID 60722871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).