4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide

C12H24ClNO2S — CID 116815650

IUPAC4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)CCCCCl
InChIInChI=1S/C12H24ClNO2S/c1-2-11-7-3-4-8-12(11)14-17(15,16)10-6-5-9-13/h11-12,14H,2-10H2,1H3
InChIKeyKDAMPCYJGSRIIO-UHFFFAOYSA-N
MW281.85 g/mol
LogP2.89
Rot. Bonds7

About 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide

4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide (PubChem CID 116815650) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
PubChem CID116815650
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC Name4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)CCCCCl
InChIInChI=1S/C12H24ClNO2S/c1-2-11-7-3-4-8-12(11)14-17(15,16)10-6-5-9-13/h11-12,14H,2-10H2,1H3
InChIKeyKDAMPCYJGSRIIO-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650
4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 43711222
4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
CID 105055808
6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628
6-chloro-N-cyclohexylhexane-1-sulfonamide
CID 22111516
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
N-(2-ethylcyclohexyl)-2-piperidin-2-ylethanesulfonamide
CID 61468215
N-[2-(chloromethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114179813
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide (CID 116815650) is 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide is CCC1CCCCC1NS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide?
The InChIKey is KDAMPCYJGSRIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c1-2-11-7-3-4-8-12(11)14-17(15,16)10-6-5-9-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide?
4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide has a molecular weight of 281.85 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide is sourced from PubChem (CID 116815650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).