(E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

C15H13N3O5S — CID 891140

IUPAC(E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O5S/c16-24(22,23)13-8-6-12(7-9-13)17-15(19)10-5-11-3-1-2-4-14(11)18(20)21/h1-10H,(H,17,19)(H2,16,22,23)/b10-5+
InChIKeyQFBRDBYSBKOIIV-BJMVGYQFSA-N
MW347.35 g/mol
LogP1.89
Rot. Bonds5

About (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 891140) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID891140
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name(E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O5S/c16-24(22,23)13-8-6-12(7-9-13)17-15(19)10-5-11-3-1-2-4-14(11)18(20)21/h1-10H,(H,17,19)(H2,16,22,23)/b10-5+
InChIKeyQFBRDBYSBKOIIV-BJMVGYQFSA-N
XLogP1.89
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 891140) is (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is QFBRDBYSBKOIIV-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H13N3O5S/c16-24(22,23)13-8-6-12(7-9-13)17-15(19)10-5-11-3-1-2-4-14(11)18(20)21/h1-10H,(H,17,19)(H2,16,22,23)/b10-5+.
What are the key properties of (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 347.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 891140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).