6-chloro-N-ethylhexane-1-sulfonamide

C8H18ClNO2S — CID 22111545

IUPAC6-chloro-N-ethylhexane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C8H18ClNO2S/c1-2-10-13(11,12)8-6-4-3-5-7-9/h10H,2-8H2,1H3
InChIKeyKOVMMVKLFFGVKM-UHFFFAOYSA-N
MW227.76 g/mol
LogP1.72
Rot. Bonds8

About 6-chloro-N-ethylhexane-1-sulfonamide

6-chloro-N-ethylhexane-1-sulfonamide (PubChem CID 22111545) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 6-chloro-N-ethylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-ethylhexane-1-sulfonamide
PubChem CID22111545
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name6-chloro-N-ethylhexane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C8H18ClNO2S/c1-2-10-13(11,12)8-6-4-3-5-7-9/h10H,2-8H2,1H3
InChIKeyKOVMMVKLFFGVKM-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethylhexane-1-sulfonamide?
The IUPAC name of 6-chloro-N-ethylhexane-1-sulfonamide (CID 22111545) is 6-chloro-N-ethylhexane-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-ethylhexane-1-sulfonamide?
The canonical SMILES for 6-chloro-N-ethylhexane-1-sulfonamide is CCNS(=O)(=O)CCCCCCCl.
What is the InChIKey of 6-chloro-N-ethylhexane-1-sulfonamide?
The InChIKey is KOVMMVKLFFGVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2S/c1-2-10-13(11,12)8-6-4-3-5-7-9/h10H,2-8H2,1H3.
What are the key properties of 6-chloro-N-ethylhexane-1-sulfonamide?
6-chloro-N-ethylhexane-1-sulfonamide has a molecular weight of 227.76 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethylhexane-1-sulfonamide is sourced from PubChem (CID 22111545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).