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

C15H14BrN3O4S — CID 155529122

IUPAC(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/O)cc1
InChIInChI=1S/C15H14BrN3O4S/c16-11-3-1-2-10(8-11)9-14(19-21)15(20)18-12-4-6-13(7-5-12)24(17,22)23/h1-8,21H,9H2,(H,18,20)(H2,17,22,23)/b19-14+
InChIKeyFGSDSZRSYYMVOU-XMHGGMMESA-N
MW412.27 g/mol
LogP2.11
Rot. Bonds5

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

(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide (PubChem CID 155529122) has the molecular formula C15H14BrN3O4S and a molecular weight of 412.27 g/mol. Its IUPAC name is (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide
PubChem CID155529122
Molecular FormulaC15H14BrN3O4S
Molecular Weight412.27 g/mol
Exact Mass410.99
IUPAC Name(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/O)cc1
InChIInChI=1S/C15H14BrN3O4S/c16-11-3-1-2-10(8-11)9-14(19-21)15(20)18-12-4-6-13(7-5-12)24(17,22)23/h1-8,21H,9H2,(H,18,20)(H2,17,22,23)/b19-14+
InChIKeyFGSDSZRSYYMVOU-XMHGGMMESA-N
XLogP2.11
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide (CID 155529122) is (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/O)cc1.
What is the InChIKey of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is FGSDSZRSYYMVOU-XMHGGMMESA-N. The full InChI is InChI=1S/C15H14BrN3O4S/c16-11-3-1-2-10(8-11)9-14(19-21)15(20)18-12-4-6-13(7-5-12)24(17,22)23/h1-8,21H,9H2,(H,18,20)(H2,17,22,23)/b19-14+.
What are the key properties of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide?
(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 412.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 155529122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).