2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide

C10H20ClNO2S — CID 107652071

IUPAC2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CCCl)CC1C
InChIInChI=1S/C10H20ClNO2S/c1-8-3-4-10(7-9(8)2)12-15(13,14)6-5-11/h8-10,12H,3-7H2,1-2H3
InChIKeyLYYUCLVOFWFLEE-UHFFFAOYSA-N
MW253.79 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide

2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide (PubChem CID 107652071) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide
PubChem CID107652071
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CCCl)CC1C
InChIInChI=1S/C10H20ClNO2S/c1-8-3-4-10(7-9(8)2)12-15(13,14)6-5-11/h8-10,12H,3-7H2,1-2H3
InChIKeyLYYUCLVOFWFLEE-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 64748802
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
CID 107652077
N-(3,4-dimethylcyclohexyl)-2-piperazin-1-ylethanesulfonamide
CID 64743714
N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide
CID 64749002
N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
CID 106067378
2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
CID 107652065
N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide
CID 165463594
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
CID 64743274
3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine
CID 79552187
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide (CID 107652071) is 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide is CC1CCC(NS(=O)(=O)CCCl)CC1C.
What is the InChIKey of 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide?
The InChIKey is LYYUCLVOFWFLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-8-3-4-10(7-9(8)2)12-15(13,14)6-5-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide?
2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide has a molecular weight of 253.79 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide is sourced from PubChem (CID 107652071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).