3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide

C15H12N2O3S — CID 61129572

IUPAC3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H12N2O3S/c16-21(19,20)14-9-5-4-8-13(14)17-15(18)11-10-12-6-2-1-3-7-12/h1-9H,(H,17,18)(H2,16,19,20)
InChIKeyKLHNLJYJHHMPQJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.32
Rot. Bonds2

About 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide

3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide (PubChem CID 61129572) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide.

Molecular Properties

Compound Name3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
PubChem CID61129572
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H12N2O3S/c16-21(19,20)14-9-5-4-8-13(14)17-15(18)11-10-12-6-2-1-3-7-12/h1-9H,(H,17,18)(H2,16,19,20)
InChIKeyKLHNLJYJHHMPQJ-UHFFFAOYSA-N
XLogP1.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide?
The IUPAC name of 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide (CID 61129572) is 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide.
What is the SMILES notation for 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide?
The canonical SMILES for 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide is NS(=O)(=O)c1ccccc1NC(=O)C#Cc1ccccc1.
What is the InChIKey of 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide?
The InChIKey is KLHNLJYJHHMPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c16-21(19,20)14-9-5-4-8-13(14)17-15(18)11-10-12-6-2-1-3-7-12/h1-9H,(H,17,18)(H2,16,19,20).
What are the key properties of 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide?
3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide has a molecular weight of 300.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide is sourced from PubChem (CID 61129572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).