6-chloro-N-methylhexane-1-sulfonamide

C7H16ClNO2S — CID 22111562

IUPAC6-chloro-N-methylhexane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C7H16ClNO2S/c1-9-12(10,11)7-5-3-2-4-6-8/h9H,2-7H2,1H3
InChIKeyMWBBZGWUAGPAKK-UHFFFAOYSA-N
MW213.73 g/mol
LogP1.33
Rot. Bonds7

About 6-chloro-N-methylhexane-1-sulfonamide

6-chloro-N-methylhexane-1-sulfonamide (PubChem CID 22111562) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 6-chloro-N-methylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methylhexane-1-sulfonamide
PubChem CID22111562
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name6-chloro-N-methylhexane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C7H16ClNO2S/c1-9-12(10,11)7-5-3-2-4-6-8/h9H,2-7H2,1H3
InChIKeyMWBBZGWUAGPAKK-UHFFFAOYSA-N
XLogP1.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 51.33
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 6-chloro-N-methylhexane-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methylhexane-1-sulfonamide?
The IUPAC name of 6-chloro-N-methylhexane-1-sulfonamide (CID 22111562) is 6-chloro-N-methylhexane-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-methylhexane-1-sulfonamide?
The canonical SMILES for 6-chloro-N-methylhexane-1-sulfonamide is CNS(=O)(=O)CCCCCCCl.
What is the InChIKey of 6-chloro-N-methylhexane-1-sulfonamide?
The InChIKey is MWBBZGWUAGPAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-9-12(10,11)7-5-3-2-4-6-8/h9H,2-7H2,1H3.
What are the key properties of 6-chloro-N-methylhexane-1-sulfonamide?
6-chloro-N-methylhexane-1-sulfonamide has a molecular weight of 213.73 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methylhexane-1-sulfonamide is sourced from PubChem (CID 22111562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).