(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide

C15H15N3O5S — CID 155549478

IUPAC(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1
InChIInChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+
InChIKeyQMMJSZNDYYVMMB-NBVRZTHBSA-N
MW349.37 g/mol
LogP1.05
Rot. Bonds5

About (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide

(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 155549478) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID155549478
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1
InChIInChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+
InChIKeyQMMJSZNDYYVMMB-NBVRZTHBSA-N
XLogP1.05
TPSA142.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371576
(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide
CID 155516550
(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
CID 155561027
4-hydroxy-N-(4-sulfamoylphenyl)benzamide
CID 28392577
2-hydroxy-N-(4-sulfamoylphenyl)benzamide
CID 462921
3-(4-hydroxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 136094224
(2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
CID 155530289
4-[(4E)-4-(4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
CID 135628141
3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide
CID 887911
Benzenesulfonic acid, 4-[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]amino]-, sodium salt (1:1)
CID 23664875
6-(4'-Hydroxy-2'-methylphenyl)-2-benzenesulfonamide-4,5-dihydropyridazine-3(2H)-one
CID 135894397
4-[4-(4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
CID 135810538

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide (CID 155549478) is (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1.
What is the InChIKey of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is QMMJSZNDYYVMMB-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+.
What are the key properties of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 349.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 155549478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).