3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide

C24H21FN4O4S — CID 2336896

IUPAC3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCc1c(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H21FN4O4S/c1-16-22(24(31)29(28(16)2)20-11-4-3-5-12-20)27-34(32,33)21-13-6-8-17(14-21)23(30)26-19-10-7-9-18(25)15-19/h3-15,27H,1-2H3,(H,26,30)
InChIKeyOYVGUWYMPHBBGX-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.68
Rot. Bonds6

About 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide

3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide (PubChem CID 2336896) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide
PubChem CID2336896
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC Name3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESCc1c(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H21FN4O4S/c1-16-22(24(31)29(28(16)2)20-11-4-3-5-12-20)27-34(32,33)21-13-6-8-17(14-21)23(30)26-19-10-7-9-18(25)15-19/h3-15,27H,1-2H3,(H,26,30)
InChIKeyOYVGUWYMPHBBGX-UHFFFAOYSA-N
XLogP3.68
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide (CID 2336896) is 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide is Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The InChIKey is OYVGUWYMPHBBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-16-22(24(31)29(28(16)2)20-11-4-3-5-12-20)27-34(32,33)21-13-6-8-17(14-21)23(30)26-19-10-7-9-18(25)15-19/h3-15,27H,1-2H3,(H,26,30).
What are the key properties of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide has a molecular weight of 480.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 2336896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).