6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide

C6H7NO2S2 — CID 19086750

IUPAC6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
SMILESNS(=O)(=O)C1=CC=CCC1=S
InChIInChI=1S/C6H7NO2S2/c7-11(8,9)6-4-2-1-3-5(6)10/h1-2,4H,3H2,(H2,7,8,9)
InChIKeyZNBBHTGRLGYKGY-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.49
Rot. Bonds1

About 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide

6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide (PubChem CID 19086750) has the molecular formula C6H7NO2S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
PubChem CID19086750
Molecular FormulaC6H7NO2S2
Molecular Weight189.26 g/mol
Exact Mass188.99
IUPAC Name6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
SMILESNS(=O)(=O)C1=CC=CCC1=S
InChIInChI=1S/C6H7NO2S2/c7-11(8,9)6-4-2-1-3-5(6)10/h1-2,4H,3H2,(H2,7,8,9)
InChIKeyZNBBHTGRLGYKGY-UHFFFAOYSA-N
XLogP0.49
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Sulfonylbenzene
CID 18756164
1-Fluorocyclohexa-2,4-diene-1-sulfonamide
CID 67459447
5-Fluorocyclohexa-1,5-diene-1-sulfonamide
CID 89382549
1,5-Difluorocyclohexa-2,4-diene-1-sulfonamide
CID 139900659
1,6-Difluorocyclohexa-2,4-diene-1-sulfonamide
CID 139900662
4,4-Difluorocyclohexa-1,5-diene-1-sulfonamide
CID 153981917
Cyclopenta-1,3-diene-1-sulfonamide
CID 12936333
6-Sulfonylcyclohexa-1,3-diene-1-sulfonic acid
CID 17804035
4-Sulfonylcyclohexa-1,5-diene-1-thiol
CID 18628450
Cyclohexa-2,4-diene-1-sulfonamide
CID 18704428
Cyclohexa-1,3-diene-1-sulfonamide
CID 21862867
6-Sulfanylidenecyclohexa-1,3-diene-1-sulfonyl chloride
CID 22075479

Frequently Asked Questions

What is the IUPAC name of 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide (CID 19086750) is 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide is NS(=O)(=O)C1=CC=CCC1=S.
What is the InChIKey of 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is ZNBBHTGRLGYKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S2/c7-11(8,9)6-4-2-1-3-5(6)10/h1-2,4H,3H2,(H2,7,8,9).
What are the key properties of 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide?
6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 189.26 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 19086750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).