3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide

C12H24ClNO2S — CID 79585815

IUPAC3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C12H24ClNO2S/c1-3-14(12-7-5-4-6-8-12)17(15,16)10-11(2)9-13/h11-12H,3-10H2,1-2H3
InChIKeyUJMNPHYIFKDEPJ-UHFFFAOYSA-N
MW281.85 g/mol
LogP2.85
Rot. Bonds6

About 3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide

3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide (PubChem CID 79585815) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
PubChem CID79585815
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC Name3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C12H24ClNO2S/c1-3-14(12-7-5-4-6-8-12)17(15,16)10-11(2)9-13/h11-12H,3-10H2,1-2H3
InChIKeyUJMNPHYIFKDEPJ-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 52.85
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

3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
CID 79585918
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide
CID 83092325
N-cyclohexyl-N-ethylsulfamoyl chloride
CID 16769623
N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide
CID 54973746
2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide
CID 79556542
N-cyclopentyl-N-ethylmethanesulfonamide
CID 58540435
3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
CID 79585976
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
CID 63396860
2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid
CID 174191866
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79585384
3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 79585920

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide (CID 79585815) is 3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide is CCN(C1CCCCC1)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide?
The InChIKey is UJMNPHYIFKDEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c1-3-14(12-7-5-4-6-8-12)17(15,16)10-11(2)9-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide?
3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide has a molecular weight of 281.85 g/mol, XLogP of 2.85, 6 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-ethyl-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).