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

C15H14BrN3O5S — CID 155516550

IUPAC(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)c(Br)c2)=N/O)cc1
InChIInChI=1S/C15H14BrN3O5S/c16-12-7-9(1-6-14(12)20)8-13(19-22)15(21)18-10-2-4-11(5-3-10)25(17,23)24/h1-7,20,22H,8H2,(H,18,21)(H2,17,23,24)/b19-13+
InChIKeyINYDHRDWDQKZOI-CPNJWEJPSA-N
MW428.26 g/mol
LogP1.81
Rot. Bonds5

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

(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide (PubChem CID 155516550) has the molecular formula C15H14BrN3O5S and a molecular weight of 428.26 g/mol. Its IUPAC name is (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide
PubChem CID155516550
Molecular FormulaC15H14BrN3O5S
Molecular Weight428.26 g/mol
Exact Mass426.98
IUPAC Name(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)c(Br)c2)=N/O)cc1
InChIInChI=1S/C15H14BrN3O5S/c16-12-7-9(1-6-14(12)20)8-13(19-22)15(21)18-10-2-4-11(5-3-10)25(17,23)24/h1-7,20,22H,8H2,(H,18,21)(H2,17,23,24)/b19-13+
InChIKeyINYDHRDWDQKZOI-CPNJWEJPSA-N
XLogP1.81
TPSA142.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.26
LogP ≤ 51.81
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

(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide
CID 155549478
(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
CID 155561027
(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 155562766
(2E)-3-(3-bromo-4-hydroxyphenyl)-2-(oxan-2-yloxyimino)-N-(4-sulfamoylphenyl)propanamide
CID 155563017
(2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
CID 155518225
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 53910760
3-[(3-bromo-4-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57250319
(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 67016892
2-(hydroxy-lambda3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide
CID 142468592
(2-Bromo-4-methylphenyl) 4-acetamidobenzenesulfonate
CID 2802679
2-({[4-(Acetylamino)phenyl]sulfonyl}amino)-3-(3,5-dibromo-4-hydroxyphenyl)prop anoic acid
CID 4248523
(E)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24416888

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide (CID 155516550) is (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)c(Br)c2)=N/O)cc1.
What is the InChIKey of (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is INYDHRDWDQKZOI-CPNJWEJPSA-N. The full InChI is InChI=1S/C15H14BrN3O5S/c16-12-7-9(1-6-14(12)20)8-13(19-22)15(21)18-10-2-4-11(5-3-10)25(17,23)24/h1-7,20,22H,8H2,(H,18,21)(H2,17,23,24)/b19-13+.
What are the key properties of (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide?
(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 428.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 155516550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).