2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide

C9H18ClNO2S — CID 107652077

IUPAC2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CCCl)C1C
InChIInChI=1S/C9H18ClNO2S/c1-7-3-4-9(8(7)2)11-14(12,13)6-5-10/h7-9,11H,3-6H2,1-2H3
InChIKeyVYCQHRWECYFLRE-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.58
Rot. Bonds4

About 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide

2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide (PubChem CID 107652077) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
PubChem CID107652077
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CCCl)C1C
InChIInChI=1S/C9H18ClNO2S/c1-7-3-4-9(8(7)2)11-14(12,13)6-5-10/h7-9,11H,3-6H2,1-2H3
InChIKeyVYCQHRWECYFLRE-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.58
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-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
2-chloro-N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 107652071
3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
CID 60909960
N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
CID 54973707
N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64923611
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide
CID 107858968
1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide
CID 64909059
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306
1-chloro-N-(2-methylcyclopropyl)methanesulfonamide
CID 63663964
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide
CID 107651448
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106723838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide (CID 107652077) is 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide is CC1CCC(NS(=O)(=O)CCCl)C1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide?
The InChIKey is VYCQHRWECYFLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-7-3-4-9(8(7)2)11-14(12,13)6-5-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide?
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide is sourced from PubChem (CID 107652077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).