1-fluorocyclohexa-2,4-diene-1-sulfonamide

C6H8FNO2S — CID 67459447

IUPAC1-fluorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(F)C=CC=CC1
InChIInChI=1S/C6H8FNO2S/c7-6(11(8,9)10)4-2-1-3-5-6/h1-4H,5H2,(H2,8,9,10)
InChIKeyGQQZIZWLRQNWHQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.46
Rot. Bonds1

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

1-fluorocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 67459447) has the molecular formula C6H8FNO2S and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-fluorocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1-fluorocyclohexa-2,4-diene-1-sulfonamide
PubChem CID67459447
Molecular FormulaC6H8FNO2S
Molecular Weight177.20 g/mol
Exact Mass177.03
IUPAC Name1-fluorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(F)C=CC=CC1
InChIInChI=1S/C6H8FNO2S/c7-6(11(8,9)10)4-2-1-3-5-6/h1-4H,5H2,(H2,8,9,10)
InChIKeyGQQZIZWLRQNWHQ-UHFFFAOYSA-N
XLogP0.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-fluorocyclohexa-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-fluorocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1-fluorocyclohexa-2,4-diene-1-sulfonamide (CID 67459447) is 1-fluorocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1-fluorocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1-fluorocyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1(F)C=CC=CC1.
What is the InChIKey of 1-fluorocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is GQQZIZWLRQNWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2S/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-fluorocyclohexa-2,4-diene-1-sulfonamide?
1-fluorocyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 177.20 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 67459447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).