4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide

C23H20N4O3S — CID 55536361

IUPAC4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N4O3S/c1-17-7-5-6-10-21(17)26-31(29,30)20-13-11-18(12-14-20)23(28)24-22-15-16-27(25-22)19-8-3-2-4-9-19/h2-16,26H,1H3,(H,24,25,28)
InChIKeyVTKWLLLSJKCNHG-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.23
Rot. Bonds6

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

4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 55536361) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID55536361
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N4O3S/c1-17-7-5-6-10-21(17)26-31(29,30)20-13-11-18(12-14-20)23(28)24-22-15-16-27(25-22)19-8-3-2-4-9-19/h2-16,26H,1H3,(H,24,25,28)
InChIKeyVTKWLLLSJKCNHG-UHFFFAOYSA-N
XLogP4.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536362
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537355
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55566549
N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
CID 35799986
4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16606761
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55596683
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537082
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide (CID 55536361) is 4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is VTKWLLLSJKCNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-17-7-5-6-10-21(17)26-31(29,30)20-13-11-18(12-14-20)23(28)24-22-15-16-27(25-22)19-8-3-2-4-9-19/h2-16,26H,1H3,(H,24,25,28).
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 432.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55536361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).