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

C25H24N4O4S — CID 2334696

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H24N4O4S/c1-18-23(25(31)29(27(18)2)21-14-8-5-9-15-21)26-24(30)19-11-10-16-22(17-19)34(32,33)28(3)20-12-6-4-7-13-20/h4-17H,1-3H3,(H,26,30)
InChIKeyLBPKLKCAOIVIDX-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.56
Rot. Bonds6

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2334696) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2334696
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H24N4O4S/c1-18-23(25(31)29(27(18)2)21-14-8-5-9-15-21)26-24(30)19-11-10-16-22(17-19)34(32,33)28(3)20-12-6-4-7-13-20/h4-17H,1-3H3,(H,26,30)
InChIKeyLBPKLKCAOIVIDX-UHFFFAOYSA-N
XLogP3.56
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (CID 2334696) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide is Cc1c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is LBPKLKCAOIVIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-18-23(25(31)29(27(18)2)21-14-8-5-9-15-21)26-24(30)19-11-10-16-22(17-19)34(32,33)28(3)20-12-6-4-7-13-20/h4-17H,1-3H3,(H,26,30).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 476.56 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2334696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).