(2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide

C9H12N4O2S — CID 146529798

IUPAC(2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide
SMILESC=N/C(=C\C=C(/C)S(N)(=O)=O)n1ccnc1
InChIInChI=1S/C9H12N4O2S/c1-8(16(10,14)15)3-4-9(11-2)13-6-5-12-7-13/h3-7H,2H2,1H3,(H2,10,14,15)/b8-3+,9-4+
InChIKeyOBJFIWCCVVZNRK-BQYBEJQRSA-N
MW240.29 g/mol
LogP0.57
Rot. Bonds4

About (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide

(2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide (PubChem CID 146529798) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide.

Molecular Properties

Compound Name(2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide
PubChem CID146529798
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name(2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide
SMILESC=N/C(=C\C=C(/C)S(N)(=O)=O)n1ccnc1
InChIInChI=1S/C9H12N4O2S/c1-8(16(10,14)15)3-4-9(11-2)13-6-5-12-7-13/h3-7H,2H2,1H3,(H2,10,14,15)/b8-3+,9-4+
InChIKeyOBJFIWCCVVZNRK-BQYBEJQRSA-N
XLogP0.57
TPSA90.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide 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

buta-1,3-diene;ethane;1-imidazol-1-ylethanone
CID 143773294
1-(1-fluoroethenyl)imidazole
CID 174960352
1-imidazol-1-ylbut-3-en-1-one
CID 67206751
methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole
CID 174740575
[(Z)-2-[methyl-(methylideneamino)amino]but-2-enyl] imidazole-1-carboxylate
CID 142433669
imidazole-1-carboxamide;propan-2-ol
CID 121360857
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
1-imidazol-1-ylpropane-1,2-dithione
CID 87350552
(E)-1-imidazol-1-yl-2-methyl-3-(2,3,4,5,6-pentamethylphenyl)prop-2-en-1-one
CID 135232094
1,1-difluoro-2-(2-imidazol-1-yl-2-oxoethoxy)-2-oxoethanesulfonic acid
CID 58400478
1-(1-ethoxyethenyl)imidazole
CID 174806747
S-methyl imidazole-1-carbothioate
CID 59105486

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide?
The IUPAC name of (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide (CID 146529798) is (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide.
What is the SMILES notation for (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide?
The canonical SMILES for (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide is C=N/C(=C\C=C(/C)S(N)(=O)=O)n1ccnc1.
What is the InChIKey of (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide?
The InChIKey is OBJFIWCCVVZNRK-BQYBEJQRSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-8(16(10,14)15)3-4-9(11-2)13-6-5-12-7-13/h3-7H,2H2,1H3,(H2,10,14,15)/b8-3+,9-4+.
What are the key properties of (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide?
(2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide has a molecular weight of 240.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-imidazol-1-yl-5-(methylideneamino)penta-2,4-diene-2-sulfonamide is sourced from PubChem (CID 146529798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).