6-sulfonylcyclohexa-2,4-dien-1-imine

C6H5NO2S — CID 141423215

IUPAC6-sulfonylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1=S(=O)=O
InChIInChI=1S/C6H5NO2S/c7-5-3-1-2-4-6(5)10(8)9/h1-4,7H/b7-5+
InChIKeyQGOYNAMDHRKBLE-FNORWQNLSA-N
MW155.18 g/mol
LogP0.18
Rot. Bonds

About 6-sulfonylcyclohexa-2,4-dien-1-imine

6-sulfonylcyclohexa-2,4-dien-1-imine (PubChem CID 141423215) has the molecular formula C6H5NO2S and a molecular weight of 155.18 g/mol. Its IUPAC name is 6-sulfonylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-sulfonylcyclohexa-2,4-dien-1-imine
PubChem CID141423215
Molecular FormulaC6H5NO2S
Molecular Weight155.18 g/mol
Exact Mass155.00
IUPAC Name6-sulfonylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1=S(=O)=O
InChIInChI=1S/C6H5NO2S/c7-5-3-1-2-4-6(5)10(8)9/h1-4,7H/b7-5+
InChIKeyQGOYNAMDHRKBLE-FNORWQNLSA-N
XLogP0.18
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-sulfonylcyclohexa-2,4-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-3-imino-2-(6-iminocyclohexa-2,4-dien-1-ylidene)propanoic acid
CID 118457112
2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide
CID 144575393
cyclohexa-3,5-diene-1,2-diimine;(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 143547651
(6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 145330530
(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89086016
6-benzhydrylidenecyclohexa-2,4-dien-1-imine
CID 135032177
(6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine
CID 118983670
iron;pyridine-2,3-diimine
CID 175755879
iron(2+);pyridine-2,3-diimine
CID 22134474
2-N-methylsulfanylcyclohexa-3,5-diene-1,2-diimine;propane
CID 143288825
(4-imino-5-sulfonylcyclohex-2-en-1-ylidene)cyanamide
CID 88631694
[(1E,4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]methanol
CID 123288429

Frequently Asked Questions

What is the IUPAC name of 6-sulfonylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-sulfonylcyclohexa-2,4-dien-1-imine (CID 141423215) is 6-sulfonylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-sulfonylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-sulfonylcyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1=S(=O)=O.
What is the InChIKey of 6-sulfonylcyclohexa-2,4-dien-1-imine?
The InChIKey is QGOYNAMDHRKBLE-FNORWQNLSA-N. The full InChI is InChI=1S/C6H5NO2S/c7-5-3-1-2-4-6(5)10(8)9/h1-4,7H/b7-5+.
What are the key properties of 6-sulfonylcyclohexa-2,4-dien-1-imine?
6-sulfonylcyclohexa-2,4-dien-1-imine has a molecular weight of 155.18 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfonylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141423215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).