2-chloro-N-ethyl-N-nonylethanesulfonamide

C13H28ClNO2S — CID 88604195

IUPAC2-chloro-N-ethyl-N-nonylethanesulfonamide
SMILESCCCCCCCCCN(CC)S(=O)(=O)CCCl
InChIInChI=1S/C13H28ClNO2S/c1-3-5-6-7-8-9-10-12-15(4-2)18(16,17)13-11-14/h3-13H2,1-2H3
InChIKeyJOKDOCCSBKXQGY-UHFFFAOYSA-N
MW297.89 g/mol
LogP3.63
Rot. Bonds12

About 2-chloro-N-ethyl-N-nonylethanesulfonamide

2-chloro-N-ethyl-N-nonylethanesulfonamide (PubChem CID 88604195) has the molecular formula C13H28ClNO2S and a molecular weight of 297.89 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-nonylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-nonylethanesulfonamide
PubChem CID88604195
Molecular FormulaC13H28ClNO2S
Molecular Weight297.89 g/mol
Exact Mass297.15
IUPAC Name2-chloro-N-ethyl-N-nonylethanesulfonamide
SMILESCCCCCCCCCN(CC)S(=O)(=O)CCCl
InChIInChI=1S/C13H28ClNO2S/c1-3-5-6-7-8-9-10-12-15(4-2)18(16,17)13-11-14/h3-13H2,1-2H3
InChIKeyJOKDOCCSBKXQGY-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.89
LogP ≤ 53.63
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-nonylethanesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-nonylethanesulfonamide (CID 88604195) is 2-chloro-N-ethyl-N-nonylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-nonylethanesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-nonylethanesulfonamide is CCCCCCCCCN(CC)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-ethyl-N-nonylethanesulfonamide?
The InChIKey is JOKDOCCSBKXQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClNO2S/c1-3-5-6-7-8-9-10-12-15(4-2)18(16,17)13-11-14/h3-13H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-nonylethanesulfonamide?
2-chloro-N-ethyl-N-nonylethanesulfonamide has a molecular weight of 297.89 g/mol, XLogP of 3.63, 12 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-nonylethanesulfonamide is sourced from PubChem (CID 88604195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).