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

C25H24N4O4S — CID 2333805

IUPAC3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1
InChIInChI=1S/C25H24N4O4S/c1-17-9-7-11-20(15-17)26-24(30)19-10-8-14-22(16-19)34(32,33)27-23-18(2)28(3)29(25(23)31)21-12-5-4-6-13-21/h4-16,27H,1-3H3,(H,26,30)
InChIKeyORHXXVGFGWTDIP-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.85
Rot. Bonds6

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

3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide (PubChem CID 2333805) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide
PubChem CID2333805
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1
InChIInChI=1S/C25H24N4O4S/c1-17-9-7-11-20(15-17)26-24(30)19-10-8-14-22(16-19)34(32,33)27-23-18(2)28(3)29(25(23)31)21-12-5-4-6-13-21/h4-16,27H,1-3H3,(H,26,30)
InChIKeyORHXXVGFGWTDIP-UHFFFAOYSA-N
XLogP3.85
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.85
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-methylphenyl)benzamide?
The IUPAC name of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide (CID 2333805) is 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1.
What is the InChIKey of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The InChIKey is ORHXXVGFGWTDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-9-7-11-20(15-17)26-24(30)19-10-8-14-22(16-19)34(32,33)27-23-18(2)28(3)29(25(23)31)21-12-5-4-6-13-21/h4-16,27H,1-3H3,(H,26,30).
What are the key properties of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide?
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methylphenyl)benzamide has a molecular weight of 476.56 g/mol, XLogP of 3.85, 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-methylphenyl)benzamide is sourced from PubChem (CID 2333805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).