4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

C21H19N3O5S — CID 135606019

IUPAC4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H19N3O5S/c1-29-18-11-12-20(25)16(13-18)14-22-23-21(26)15-7-9-17(10-8-15)24-30(27,28)19-5-3-2-4-6-19/h2-14,24-25H,1H3,(H,23,26)/b22-14+
InChIKeyPVPYWTZPOHTBDQ-HYARGMPZSA-N
MW425.47 g/mol
LogP2.97
Rot. Bonds7

About 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (PubChem CID 135606019) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
PubChem CID135606019
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H19N3O5S/c1-29-18-11-12-20(25)16(13-18)14-22-23-21(26)15-7-9-17(10-8-15)24-30(27,28)19-5-3-2-4-6-19/h2-14,24-25H,1H3,(H,23,26)/b22-14+
InChIKeyPVPYWTZPOHTBDQ-HYARGMPZSA-N
XLogP2.97
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136867354
2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135710674
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 135606823
4-amino-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide;hydrate
CID 139084206
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 135852564
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
CID 6076061
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938
N-[(4-hydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2361346
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[2-[(2E)-2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135867567

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (CID 135606019) is 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is COc1ccc(O)c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is PVPYWTZPOHTBDQ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-29-18-11-12-20(25)16(13-18)14-22-23-21(26)15-7-9-17(10-8-15)24-30(27,28)19-5-3-2-4-6-19/h2-14,24-25H,1H3,(H,23,26)/b22-14+.
What are the key properties of 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 425.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135606019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).