(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide

C11H14BrN3O4S — CID 142468602

IUPAC(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/O
InChIInChI=1S/C11H14BrN3O4S/c12-9-3-1-2-8(6-9)7-10(15-17)11(16)14-4-5-20(13,18)19/h1-3,6,17H,4-5,7H2,(H,14,16)(H2,13,18,19)/b15-10+
InChIKeyQFLIMIWCNQIWFZ-XNTDXEJSSA-N
MW364.22 g/mol
LogP0.23
Rot. Bonds6

About (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide

(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide (PubChem CID 142468602) has the molecular formula C11H14BrN3O4S and a molecular weight of 364.22 g/mol. Its IUPAC name is (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide
PubChem CID142468602
Molecular FormulaC11H14BrN3O4S
Molecular Weight364.22 g/mol
Exact Mass362.99
IUPAC Name(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/O
InChIInChI=1S/C11H14BrN3O4S/c12-9-3-1-2-8(6-9)7-10(15-17)11(16)14-4-5-20(13,18)19/h1-3,6,17H,4-5,7H2,(H,14,16)(H2,13,18,19)/b15-10+
InChIKeyQFLIMIWCNQIWFZ-XNTDXEJSSA-N
XLogP0.23
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 50.23
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-(2-sulfamoylethyl)propanamide?
The IUPAC name of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide (CID 142468602) is (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide is NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/O.
What is the InChIKey of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide?
The InChIKey is QFLIMIWCNQIWFZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C11H14BrN3O4S/c12-9-3-1-2-8(6-9)7-10(15-17)11(16)14-4-5-20(13,18)19/h1-3,6,17H,4-5,7H2,(H,14,16)(H2,13,18,19)/b15-10+.
What are the key properties of (2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide?
(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide has a molecular weight of 364.22 g/mol, XLogP of 0.23, 6 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-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 142468602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).