N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide

C19H16N4O4S — CID 23434326

IUPACN-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide
SMILESCN(O)C(=O)C#Cn1cc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C19H16N4O4S/c1-22(25)18(24)11-12-23-13-16(14-7-3-2-4-8-14)19(21-23)15-9-5-6-10-17(15)28(20,26)27/h2-10,13,25H,1H3,(H2,20,26,27)
InChIKeyYOZMEHXYIBPDAK-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.52
Rot. Bonds3

About N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide

N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide (PubChem CID 23434326) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide
PubChem CID23434326
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC NameN-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide
SMILESCN(O)C(=O)C#Cn1cc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C19H16N4O4S/c1-22(25)18(24)11-12-23-13-16(14-7-3-2-4-8-14)19(21-23)15-9-5-6-10-17(15)28(20,26)27/h2-10,13,25H,1H3,(H2,20,26,27)
InChIKeyYOZMEHXYIBPDAK-UHFFFAOYSA-N
XLogP1.52
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide?
The IUPAC name of N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide (CID 23434326) is N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide.
What is the SMILES notation for N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide?
The canonical SMILES for N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide is CN(O)C(=O)C#Cn1cc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)n1.
What is the InChIKey of N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide?
The InChIKey is YOZMEHXYIBPDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-22(25)18(24)11-12-23-13-16(14-7-3-2-4-8-14)19(21-23)15-9-5-6-10-17(15)28(20,26)27/h2-10,13,25H,1H3,(H2,20,26,27).
What are the key properties of N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide?
N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide has a molecular weight of 396.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-3-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-ynamide is sourced from PubChem (CID 23434326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).