[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate

C15H13NO3S — CID 87078782

IUPAC[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate
SMILESO=S(=O)(O/N=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-20(18,15-11-5-2-6-12-15)19-16-13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,16-13+
InChIKeyOQEGFLOITNDPSO-NJKRNUQASA-N
MW287.34 g/mol
LogP3.09
Rot. Bonds5

About [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate

[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate (PubChem CID 87078782) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate.

Molecular Properties

Compound Name[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate
PubChem CID87078782
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate
SMILESO=S(=O)(O/N=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-20(18,15-11-5-2-6-12-15)19-16-13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,16-13+
InChIKeyOQEGFLOITNDPSO-NJKRNUQASA-N
XLogP3.09
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate 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

[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
[(E)-benzylideneamino] 4-methylbenzenesulfonate
CID 20702846
nitroso benzenesulfonate
CID 88672539
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
3-phenyl-N-phenylmethoxyprop-2-en-1-imine
CID 75740750
4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 93012826
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide
CID 134997047
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219

Frequently Asked Questions

What is the IUPAC name of [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate?
The IUPAC name of [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate (CID 87078782) is [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate.
What is the SMILES notation for [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate?
The canonical SMILES for [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate is O=S(=O)(O/N=C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate?
The InChIKey is OQEGFLOITNDPSO-NJKRNUQASA-N. The full InChI is InChI=1S/C15H13NO3S/c17-20(18,15-11-5-2-6-12-15)19-16-13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,16-13+.
What are the key properties of [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate?
[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate has a molecular weight of 287.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate is sourced from PubChem (CID 87078782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).