2-ethynyl-N-(2-sulfamoylphenyl)benzamide

C15H12N2O3S — CID 18544113

IUPAC2-ethynyl-N-(2-sulfamoylphenyl)benzamide
SMILESC#Cc1ccccc1C(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H12N2O3S/c1-2-11-7-3-4-8-12(11)15(18)17-13-9-5-6-10-14(13)21(16,19)20/h1,3-10H,(H,17,18)(H2,16,19,20)
InChIKeyBJRSZVMXJGAYAY-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.57
Rot. Bonds3

About 2-ethynyl-N-(2-sulfamoylphenyl)benzamide

2-ethynyl-N-(2-sulfamoylphenyl)benzamide (PubChem CID 18544113) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-ethynyl-N-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-ethynyl-N-(2-sulfamoylphenyl)benzamide
PubChem CID18544113
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-ethynyl-N-(2-sulfamoylphenyl)benzamide
SMILESC#Cc1ccccc1C(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H12N2O3S/c1-2-11-7-3-4-8-12(11)15(18)17-13-9-5-6-10-14(13)21(16,19)20/h1,3-10H,(H,17,18)(H2,16,19,20)
InChIKeyBJRSZVMXJGAYAY-UHFFFAOYSA-N
XLogP1.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-sulfamoylphenyl)benzamide
CID 61130901
N-(2-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzamide
CID 22645726
2-ethynyl-N-phenylbenzamide
CID 25216325
5-fluoro-2-hydroxy-N-(2-sulfamoylphenyl)benzamide
CID 115299526
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
CID 61129572
5-nitro-N-(2-sulfamoylphenyl)furan-2-carboxamide
CID 61128250
4-[2-(4-fluorophenyl)ethynyl]-N-(2-sulfamoylphenyl)benzamide
CID 12018921
3-methyl-N-(2-sulfamoylphenyl)pyridine-2-carboxamide
CID 62340174
3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
CID 81459721
1,1-diphenyl-3-(2-sulfamoylphenyl)urea
CID 3622343

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-N-(2-sulfamoylphenyl)benzamide?
The IUPAC name of 2-ethynyl-N-(2-sulfamoylphenyl)benzamide (CID 18544113) is 2-ethynyl-N-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-ethynyl-N-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-ethynyl-N-(2-sulfamoylphenyl)benzamide is C#Cc1ccccc1C(=O)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-ethynyl-N-(2-sulfamoylphenyl)benzamide?
The InChIKey is BJRSZVMXJGAYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-2-11-7-3-4-8-12(11)15(18)17-13-9-5-6-10-14(13)21(16,19)20/h1,3-10H,(H,17,18)(H2,16,19,20).
What are the key properties of 2-ethynyl-N-(2-sulfamoylphenyl)benzamide?
2-ethynyl-N-(2-sulfamoylphenyl)benzamide has a molecular weight of 300.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-N-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 18544113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).