3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide

C10H20ClNO2S — CID 43654418

IUPAC3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO2S/c1-12(10-6-3-2-4-7-10)15(13,14)9-5-8-11/h10H,2-9H2,1H3
InChIKeyNDSVYBYIIIRQQJ-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.21
Rot. Bonds5

About 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide

3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide (PubChem CID 43654418) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide
PubChem CID43654418
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO2S/c1-12(10-6-3-2-4-7-10)15(13,14)9-5-8-11/h10H,2-9H2,1H3
InChIKeyNDSVYBYIIIRQQJ-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

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CID 13468222
N-(2-chlorocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 113719347
Cyclohexyl(ethylsulfonyl)methylamine
CID 17376530
N-butyl-5-chloro-N-methyl-pentanesulfonamide
CID 19711033
N,N-dibutyl-6-chlorohexane-1-sulfonamide
CID 22111601
N-cyclohexyl-N-methylpropane-2-sulfonamide
CID 64197061
N-cyclohexyl-N-pentan-2-ylethanesulfonamide
CID 70990681
N-n-butyl-N-methyl-6-chlorohexanesulfonamide
CID 86756219
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide (CID 43654418) is 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide?
The InChIKey is NDSVYBYIIIRQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-12(10-6-3-2-4-7-10)15(13,14)9-5-8-11/h10H,2-9H2,1H3.
What are the key properties of 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide?
3-chloro-N-cyclohexyl-N-methylpropane-1-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 3-chloro-N-cyclohexyl-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 43654418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).