4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide

C23H21N3O3S — CID 92648429

IUPAC4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide
SMILESC=CCN(c1ccc(C(=O)N/N=C\c2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-2-17-26(30(28,29)22-11-7-4-8-12-22)21-15-13-20(14-16-21)23(27)25-24-18-19-9-5-3-6-10-19/h2-16,18H,1,17H2,(H,25,27)/b24-18-
InChIKeyKVFLBMPRQMMATI-MOHJPFBDSA-N
MW419.51 g/mol
LogP3.83
Rot. Bonds8

About 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide

4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide (PubChem CID 92648429) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide
PubChem CID92648429
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide
SMILESC=CCN(c1ccc(C(=O)N/N=C\c2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-2-17-26(30(28,29)22-11-7-4-8-12-22)21-15-13-20(14-16-21)23(27)25-24-18-19-9-5-3-6-10-19/h2-16,18H,1,17H2,(H,25,27)/b24-18-
InChIKeyKVFLBMPRQMMATI-MOHJPFBDSA-N
XLogP3.83
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-(3-bromophenyl)methylideneamino]benzamide
CID 92648442
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 92648462
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide
CID 92644415
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 136738042
N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide
CID 4301325
4-[benzenesulfonyl(methyl)amino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43878814
4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 6174804
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 133145390
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 6283870
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 132674498
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4658290

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide (CID 92648429) is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide is C=CCN(c1ccc(C(=O)N/N=C\c2ccccc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide?
The InChIKey is KVFLBMPRQMMATI-MOHJPFBDSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-2-17-26(30(28,29)22-11-7-4-8-12-22)21-15-13-20(14-16-21)23(27)25-24-18-19-9-5-3-6-10-19/h2-16,18H,1,17H2,(H,25,27)/b24-18-.
What are the key properties of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide?
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide has a molecular weight of 419.51 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide is sourced from PubChem (CID 92648429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).