N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide

C14H13N3O4S — CID 135804205

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H13N3O4S/c15-22(20,21)12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,(H,17,19)(H2,15,20,21)/b16-9+
InChIKeyMOSYWKMFSSCRBJ-CXUHLZMHSA-N
MW319.34 g/mol
LogP0.80
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide (PubChem CID 135804205) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide
PubChem CID135804205
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H13N3O4S/c15-22(20,21)12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,(H,17,19)(H2,15,20,21)/b16-9+
InChIKeyMOSYWKMFSSCRBJ-CXUHLZMHSA-N
XLogP0.80
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Chel 180
CID 135445765
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
Nsc204792
CID 135459102
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
3-hydroxy-N'-[4-(methylsulfanyl)benzylidene]benzohydrazide
CID 6874518
4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404075
n'-Benzylidene-2-hydroxybenzohydrazide
CID 5332016
Salicylaldehyde Benzoyl Hydrazone
CID 135400584
3-(diethylsulfamoyl)-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]benzamide
CID 135401251
N'-(5-chloro-2-hydroxybenzylidene)-4-(1-piperidinylsulfonyl)benzohydrazide
CID 135425022

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide (CID 135804205) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide?
The InChIKey is MOSYWKMFSSCRBJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13N3O4S/c15-22(20,21)12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,(H,17,19)(H2,15,20,21)/b16-9+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide has a molecular weight of 319.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide is sourced from PubChem (CID 135804205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).