4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

C24H23N3O4S — CID 136738042

IUPAC4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC=CCN(c1ccc(C(=O)N/N=C(/C)c2ccccc2O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23N3O4S/c1-3-17-27(32(30,31)21-9-5-4-6-10-21)20-15-13-19(14-16-20)24(29)26-25-18(2)22-11-7-8-12-23(22)28/h3-16,28H,1,17H2,2H3,(H,26,29)/b25-18-
InChIKeyAUMWEGQWICURAR-BWAHOGKJSA-N
MW449.53 g/mol
LogP3.93
Rot. Bonds8

About 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 136738042) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID136738042
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC=CCN(c1ccc(C(=O)N/N=C(/C)c2ccccc2O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23N3O4S/c1-3-17-27(32(30,31)21-9-5-4-6-10-21)20-15-13-19(14-16-20)24(29)26-25-18(2)22-11-7-8-12-23(22)28/h3-16,28H,1,17H2,2H3,(H,26,29)/b25-18-
InChIKeyAUMWEGQWICURAR-BWAHOGKJSA-N
XLogP3.93
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide
CID 92644415
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide
CID 92648429
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(3-bromophenyl)methylideneamino]benzamide
CID 92648442
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 92648462
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 133145390
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 132674498
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 5015345
N-[4-[(Z)-N-[[2-[N-(benzenesulfonyl)-4-iodoanilino]acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 126155104
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (CID 136738042) is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is C=CCN(c1ccc(C(=O)N/N=C(/C)c2ccccc2O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is AUMWEGQWICURAR-BWAHOGKJSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-17-27(32(30,31)21-9-5-4-6-10-21)20-15-13-19(14-16-20)24(29)26-25-18(2)22-11-7-8-12-23(22)28/h3-16,28H,1,17H2,2H3,(H,26,29)/b25-18-.
What are the key properties of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 136738042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).