4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide

C27H23N3O4S — CID 6289615

IUPAC4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H23N3O4S/c31-27(23-14-16-24(17-15-23)30-35(32,33)26-12-5-2-6-13-26)29-28-19-22-10-7-11-25(18-22)34-20-21-8-3-1-4-9-21/h1-19,30H,20H2,(H,29,31)/b28-19-
InChIKeyUMAWUCCFHHZAMN-USHMODERSA-N
MW485.57 g/mol
LogP4.83
Rot. Bonds9

About 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide

4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6289615) has the molecular formula C27H23N3O4S and a molecular weight of 485.57 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6289615
Molecular FormulaC27H23N3O4S
Molecular Weight485.57 g/mol
Exact Mass485.14
IUPAC Name4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H23N3O4S/c31-27(23-14-16-24(17-15-23)30-35(32,33)26-12-5-2-6-13-26)29-28-19-22-10-7-11-25(18-22)34-20-21-8-3-1-4-9-21/h1-19,30H,20H2,(H,29,31)/b28-19-
InChIKeyUMAWUCCFHHZAMN-USHMODERSA-N
XLogP4.83
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.83
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'}

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Related Compounds

4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6024079
4-(benzenesulfonamido)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6040213
4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6021387
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
CID 4620480
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4509998
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6289615) is 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is UMAWUCCFHHZAMN-USHMODERSA-N. The full InChI is InChI=1S/C27H23N3O4S/c31-27(23-14-16-24(17-15-23)30-35(32,33)26-12-5-2-6-13-26)29-28-19-22-10-7-11-25(18-22)34-20-21-8-3-1-4-9-21/h1-19,30H,20H2,(H,29,31)/b28-19-.
What are the key properties of 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 485.57 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6289615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).