4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide

C15H14N2O2S — CID 93012826

IUPAC4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C=C\c2ccccc2)cc1
InChIInChI=1S/C15H14N2O2S/c16-20(18,19)15-10-8-14(9-11-15)17-12-4-7-13-5-2-1-3-6-13/h1-12H,(H2,16,18,19)/b7-4-,17-12+
InChIKeyABNOYMJFPBRWMR-LUJAEEAZSA-N
MW286.36 g/mol
LogP2.75
Rot. Bonds4

About 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide

4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide (PubChem CID 93012826) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
PubChem CID93012826
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C=C\c2ccccc2)cc1
InChIInChI=1S/C15H14N2O2S/c16-20(18,19)15-10-8-14(9-11-15)17-12-4-7-13-5-2-1-3-6-13/h1-12H,(H2,16,18,19)/b7-4-,17-12+
InChIKeyABNOYMJFPBRWMR-LUJAEEAZSA-N
XLogP2.75
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
N-(4-iodophenyl)-3-phenylprop-2-en-1-imine
CID 554999
1-[4-(cinnamylideneamino)phenyl]ethanone
CID 3705604
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 25041425
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
[4-(cinnamylideneamino)phenyl] thiocyanate
CID 165354730
(E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine
CID 6302344
4-(pyridin-3-ylmethylideneamino)benzenesulfonamide
CID 10659069
4-(2-bromoethenyl)benzenesulfonamide
CID 141164690
[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzenesulfonate
CID 87078782
(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
CID 6247301
5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one
CID 171140821

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The IUPAC name of 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide (CID 93012826) is 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/C=C\c2ccccc2)cc1.
What is the InChIKey of 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The InChIKey is ABNOYMJFPBRWMR-LUJAEEAZSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-20(18,19)15-10-8-14(9-11-15)17-12-4-7-13-5-2-1-3-6-13/h1-12H,(H2,16,18,19)/b7-4-,17-12+.
What are the key properties of 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide is sourced from PubChem (CID 93012826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).