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

C25H23FN4O4S — CID 2089560

IUPAC4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCc1c(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23FN4O4S/c1-17-23(25(32)30(29(17)2)21-6-4-3-5-7-21)28-35(33,34)22-14-10-19(11-15-22)24(31)27-16-18-8-12-20(26)13-9-18/h3-15,28H,16H2,1-2H3,(H,27,31)
InChIKeyRZRXZGCIVHUEAK-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.35
Rot. Bonds7

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

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 2089560) has the molecular formula C25H23FN4O4S and a molecular weight of 494.55 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID2089560
Molecular FormulaC25H23FN4O4S
Molecular Weight494.55 g/mol
Exact Mass494.14
IUPAC Name4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCc1c(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23FN4O4S/c1-17-23(25(32)30(29(17)2)21-6-4-3-5-7-21)28-35(33,34)22-14-10-19(11-15-22)24(31)27-16-18-8-12-20(26)13-9-18/h3-15,28H,16H2,1-2H3,(H,27,31)
InChIKeyRZRXZGCIVHUEAK-UHFFFAOYSA-N
XLogP3.35
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide (CID 2089560) is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide is Cc1c(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is RZRXZGCIVHUEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4S/c1-17-23(25(32)30(29(17)2)21-6-4-3-5-7-21)28-35(33,34)22-14-10-19(11-15-22)24(31)27-16-18-8-12-20(26)13-9-18/h3-15,28H,16H2,1-2H3,(H,27,31).
What are the key properties of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide?
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 494.55 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 2089560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).