2-chloro-N-ethyl-N-hexylethanesulfonamide

C10H22ClNO2S — CID 88604331

IUPAC2-chloro-N-ethyl-N-hexylethanesulfonamide
SMILESCCCCCCN(CC)S(=O)(=O)CCCl
InChIInChI=1S/C10H22ClNO2S/c1-3-5-6-7-9-12(4-2)15(13,14)10-8-11/h3-10H2,1-2H3
InChIKeyUMZVNUVFJGSGKP-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.46
Rot. Bonds9

About 2-chloro-N-ethyl-N-hexylethanesulfonamide

2-chloro-N-ethyl-N-hexylethanesulfonamide (PubChem CID 88604331) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-hexylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-hexylethanesulfonamide
PubChem CID88604331
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC Name2-chloro-N-ethyl-N-hexylethanesulfonamide
SMILESCCCCCCN(CC)S(=O)(=O)CCCl
InChIInChI=1S/C10H22ClNO2S/c1-3-5-6-7-9-12(4-2)15(13,14)10-8-11/h3-10H2,1-2H3
InChIKeyUMZVNUVFJGSGKP-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-hexylethanesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-hexylethanesulfonamide (CID 88604331) is 2-chloro-N-ethyl-N-hexylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-hexylethanesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-hexylethanesulfonamide is CCCCCCN(CC)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-ethyl-N-hexylethanesulfonamide?
The InChIKey is UMZVNUVFJGSGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-3-5-6-7-9-12(4-2)15(13,14)10-8-11/h3-10H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-hexylethanesulfonamide?
2-chloro-N-ethyl-N-hexylethanesulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-hexylethanesulfonamide is sourced from PubChem (CID 88604331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).