4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide

C22H20N2O4S — CID 8504810

IUPAC4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)/C=C/c1ccccc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S/c25-22(23-24-29(26,27)16-15-18-7-3-1-4-8-18)20-13-11-19(12-14-20)17-28-21-9-5-2-6-10-21/h1-16,24H,17H2,(H,23,25)/b16-15+
InChIKeySEBBYEDPCANRPP-FOCLMDBBSA-N
MW408.48 g/mol
LogP3.50
Rot. Bonds8

About 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide

4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide (PubChem CID 8504810) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
PubChem CID8504810
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)/C=C/c1ccccc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S/c25-22(23-24-29(26,27)16-15-18-7-3-1-4-8-18)20-13-11-19(12-14-20)17-28-21-9-5-2-6-10-21/h1-16,24H,17H2,(H,23,25)/b16-15+
InChIKeySEBBYEDPCANRPP-FOCLMDBBSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
CID 8617546
4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
2-methyl-4-[[[4-(phenoxymethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 154859239
N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 22831284
N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide?
The IUPAC name of 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide (CID 8504810) is 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide.
What is the SMILES notation for 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide?
The canonical SMILES for 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide is O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide?
The InChIKey is SEBBYEDPCANRPP-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H20N2O4S/c25-22(23-24-29(26,27)16-15-18-7-3-1-4-8-18)20-13-11-19(12-14-20)17-28-21-9-5-2-6-10-21/h1-16,24H,17H2,(H,23,25)/b16-15+.
What are the key properties of 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide?
4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide has a molecular weight of 408.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide is sourced from PubChem (CID 8504810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).