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

C11H15N3O5S — CID 142468591

IUPAC(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)cc1)=N/O
InChIInChI=1S/C11H15N3O5S/c12-20(18,19)6-5-13-11(16)10(14-17)7-8-1-3-9(15)4-2-8/h1-4,15,17H,5-7H2,(H,13,16)(H2,12,18,19)/b14-10+
InChIKeyAWQMLLYUTDWXPW-GXDHUFHOSA-N
MW301.32 g/mol
LogP-0.83
Rot. Bonds6

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

(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide (PubChem CID 142468591) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
PubChem CID142468591
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)cc1)=N/O
InChIInChI=1S/C11H15N3O5S/c12-20(18,19)6-5-13-11(16)10(14-17)7-8-1-3-9(15)4-2-8/h1-4,15,17H,5-7H2,(H,13,16)(H2,12,18,19)/b14-10+
InChIKeyAWQMLLYUTDWXPW-GXDHUFHOSA-N
XLogP-0.83
TPSA142.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.83
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide?
The IUPAC name of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide (CID 142468591) is (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide is NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)cc1)=N/O.
What is the InChIKey of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide?
The InChIKey is AWQMLLYUTDWXPW-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H15N3O5S/c12-20(18,19)6-5-13-11(16)10(14-17)7-8-1-3-9(15)4-2-8/h1-4,15,17H,5-7H2,(H,13,16)(H2,12,18,19)/b14-10+.
What are the key properties of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide?
(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide has a molecular weight of 301.32 g/mol, XLogP of -0.83, 6 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-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 142468591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).