(1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide

C6H8ClNO2S — CID 89340000

IUPAC(1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)[C@@H]1C=CC(Cl)=CC1
InChIInChI=1S/C6H8ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-3,6H,4H2,(H2,8,9,10)/t6-/m1/s1
InChIKeyOZDBQMFVVPVNGW-ZCFIWIBFSA-N
MW193.66 g/mol
LogP0.73
Rot. Bonds1

About (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide

(1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 89340000) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name(1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide
PubChem CID89340000
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Name(1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)[C@@H]1C=CC(Cl)=CC1
InChIInChI=1S/C6H8ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-3,6H,4H2,(H2,8,9,10)/t6-/m1/s1
InChIKeyOZDBQMFVVPVNGW-ZCFIWIBFSA-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

Analyze (1S)-4-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 (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide (CID 89340000) is (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)[C@@H]1C=CC(Cl)=CC1.
What is the InChIKey of (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is OZDBQMFVVPVNGW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-3,6H,4H2,(H2,8,9,10)/t6-/m1/s1.
What are the key properties of (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide?
(1S)-4-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 (1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 89340000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).