3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide

C25H24N4O3S — CID 25110235

IUPAC3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-n3cccn3)ccc2C)c1
InChIInChI=1S/C25H24N4O3S/c1-17-9-10-18(2)22(15-17)28-33(31,32)24-16-20(12-11-19(24)3)25(30)27-21-7-4-5-8-23(21)29-14-6-13-26-29/h4-16,28H,1-3H3,(H,27,30)
InChIKeyRGYPLFXEGFYYHT-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.85
Rot. Bonds6

About 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide

3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide (PubChem CID 25110235) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide
PubChem CID25110235
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-n3cccn3)ccc2C)c1
InChIInChI=1S/C25H24N4O3S/c1-17-9-10-18(2)22(15-17)28-33(31,32)24-16-20(12-11-19(24)3)25(30)27-21-7-4-5-8-23(21)29-14-6-13-26-29/h4-16,28H,1-3H3,(H,27,30)
InChIKeyRGYPLFXEGFYYHT-UHFFFAOYSA-N
XLogP4.85
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide (CID 25110235) is 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-n3cccn3)ccc2C)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide?
The InChIKey is RGYPLFXEGFYYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-9-10-18(2)22(15-17)28-33(31,32)24-16-20(12-11-19(24)3)25(30)27-21-7-4-5-8-23(21)29-14-6-13-26-29/h4-16,28H,1-3H3,(H,27,30).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide?
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 25110235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).