4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide

C25H20N4O3S — CID 86771827

IUPAC4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H20N4O3S/c30-25(28-27-24(19-7-3-1-4-8-19)20-15-17-26-18-16-20)21-11-13-22(14-12-21)29-33(31,32)23-9-5-2-6-10-23/h1-18,29H,(H,28,30)/b27-24+
InChIKeyBGGYWYPGBHMNID-SOYKGTTHSA-N
MW456.53 g/mol
LogP4.06
Rot. Bonds7

About 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide

4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide (PubChem CID 86771827) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
PubChem CID86771827
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H20N4O3S/c30-25(28-27-24(19-7-3-1-4-8-19)20-15-17-26-18-16-20)21-11-13-22(14-12-21)29-33(31,32)23-9-5-2-6-10-23/h1-18,29H,(H,28,30)/b27-24+
InChIKeyBGGYWYPGBHMNID-SOYKGTTHSA-N
XLogP4.06
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
CID 6076061
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 4119667
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 5058601
4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
CID 6383602
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
CID 88671183

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide (CID 86771827) is 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide is O=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The InChIKey is BGGYWYPGBHMNID-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H20N4O3S/c30-25(28-27-24(19-7-3-1-4-8-19)20-15-17-26-18-16-20)21-11-13-22(14-12-21)29-33(31,32)23-9-5-2-6-10-23/h1-18,29H,(H,28,30)/b27-24+.
What are the key properties of 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide has a molecular weight of 456.53 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide is sourced from PubChem (CID 86771827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).