5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide

C20H18N4O4S — CID 8978682

IUPAC5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccncc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O
InChIInChI=1S/C20H18N4O4S/c25-19-7-6-17(29(27,28)23-14-15-4-2-1-3-5-15)12-18(19)20(26)24-22-13-16-8-10-21-11-9-16/h1-13,23,25H,14H2,(H,24,26)/b22-13-
InChIKeyNPOAMWCIFUEPFF-XKZIYDEJSA-N
MW410.46 g/mol
LogP2.03
Rot. Bonds7

About 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide

5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide (PubChem CID 8978682) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
PubChem CID8978682
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccncc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O
InChIInChI=1S/C20H18N4O4S/c25-19-7-6-17(29(27,28)23-14-15-4-2-1-3-5-15)12-18(19)20(26)24-22-13-16-8-10-21-11-9-16/h1-13,23,25H,14H2,(H,24,26)/b22-13-
InChIKeyNPOAMWCIFUEPFF-XKZIYDEJSA-N
XLogP2.03
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 8978679
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 8978693
2-iodo-5-(pyridin-4-ylmethylsulfamoyl)benzoic acid
CID 103962241
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
(3,4-dichlorophenyl)methyl 5-(benzylsulfamoyl)-2-hydroxybenzoate
CID 25036938
4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 867441
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
5-(benzylsulfamoyl)-2-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 112771772
1-[3-(benzylsulfamoyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231284

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide (CID 8978682) is 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is O=C(N/N=C\c1ccncc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O.
What is the InChIKey of 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
The InChIKey is NPOAMWCIFUEPFF-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H18N4O4S/c25-19-7-6-17(29(27,28)23-14-15-4-2-1-3-5-15)12-18(19)20(26)24-22-13-16-8-10-21-11-9-16/h1-13,23,25H,14H2,(H,24,26)/b22-13-.
What are the key properties of 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide has a molecular weight of 410.46 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is sourced from PubChem (CID 8978682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).