1-chlorocyclohexa-2,4-diene-1-sulfonamide

C6H8ClNO2S — CID 154411866

IUPAC1-chlorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(Cl)C=CC=CC1
InChIInChI=1S/C6H8ClNO2S/c7-6(11(8,9)10)4-2-1-3-5-6/h1-4H,5H2,(H2,8,9,10)
InChIKeySZPYSKRJFZNDFV-UHFFFAOYSA-N
MW193.66 g/mol
LogP0.73
Rot. Bonds1

About 1-chlorocyclohexa-2,4-diene-1-sulfonamide

1-chlorocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 154411866) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is 1-chlorocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1-chlorocyclohexa-2,4-diene-1-sulfonamide
PubChem CID154411866
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Name1-chlorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(Cl)C=CC=CC1
InChIInChI=1S/C6H8ClNO2S/c7-6(11(8,9)10)4-2-1-3-5-6/h1-4H,5H2,(H2,8,9,10)
InChIKeySZPYSKRJFZNDFV-UHFFFAOYSA-N
XLogP0.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chlorocyclohexa-2,4-diene-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 1-chlorocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1-chlorocyclohexa-2,4-diene-1-sulfonamide (CID 154411866) is 1-chlorocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1-chlorocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1-chlorocyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1(Cl)C=CC=CC1.
What is the InChIKey of 1-chlorocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is SZPYSKRJFZNDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2S/c7-6(11(8,9)10)4-2-1-3-5-6/h1-4H,5H2,(H2,8,9,10).
What are the key properties of 1-chlorocyclohexa-2,4-diene-1-sulfonamide?
1-chlorocyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 193.66 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 154411866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).