[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate

C23H20N2O4S — CID 142494385

IUPAC[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate
SMILESC=CC(=O)OC(/C(=N/NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O4S/c1-2-21(26)29-23(19-14-8-4-9-15-19)22(18-12-6-3-7-13-18)24-25-30(27,28)20-16-10-5-11-17-20/h2-17,23,25H,1H2/b24-22+
InChIKeyHRRDHXYULKITFP-ZNTNEXAZSA-N
MW420.49 g/mol
LogP3.84
Rot. Bonds8

About [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate

[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate (PubChem CID 142494385) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate.

Molecular Properties

Compound Name[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate
PubChem CID142494385
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate
SMILESC=CC(=O)OC(/C(=N/NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O4S/c1-2-21(26)29-23(19-14-8-4-9-15-19)22(18-12-6-3-7-13-18)24-25-30(27,28)20-16-10-5-11-17-20/h2-17,23,25H,1H2/b24-22+
InChIKeyHRRDHXYULKITFP-ZNTNEXAZSA-N
XLogP3.84
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
CID 5397914
methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate
CID 15642603
acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate
CID 172931470
1-phenylpropyl prop-2-enoate;sulfuric acid
CID 174783209
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
(2-oxo-2-phenyl-1-prop-2-enoyloxyethyl) prop-2-enoate
CID 153394937
1-phenylethyl prop-2-enoate
CID 175321764
4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide
CID 24766107
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
CID 172719968
CID 172719968
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
(2-ethenoxy-1-phenylethyl) prop-2-enoate
CID 150761582

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate?
The IUPAC name of [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate (CID 142494385) is [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate.
What is the SMILES notation for [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate?
The canonical SMILES for [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate is C=CC(=O)OC(/C(=N/NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate?
The InChIKey is HRRDHXYULKITFP-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-2-21(26)29-23(19-14-8-4-9-15-19)22(18-12-6-3-7-13-18)24-25-30(27,28)20-16-10-5-11-17-20/h2-17,23,25H,1H2/b24-22+.
What are the key properties of [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate?
[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate has a molecular weight of 420.49 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate is sourced from PubChem (CID 142494385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).