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

C23H20N4O3S — CID 55537155

IUPAC4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccn(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-17-7-11-19(12-8-17)26-31(29,30)21-13-9-18(10-14-21)23(28)24-22-15-16-27(25-22)20-5-3-2-4-6-20/h2-16,26H,1H3,(H,24,25,28)
InChIKeyWIJFNGMCGSJPFU-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.23
Rot. Bonds6

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

4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 55537155) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID55537155
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccn(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-17-7-11-19(12-8-17)26-31(29,30)21-13-9-18(10-14-21)23(28)24-22-15-16-27(25-22)20-5-3-2-4-6-20/h2-16,26H,1H3,(H,24,25,28)
InChIKeyWIJFNGMCGSJPFU-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-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537355
4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536361
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537154
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536362
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55566549
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 47081142
N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
CID 35799986
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537082
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
CID 154652808
CID 154652808
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide (CID 55537155) is 4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccn(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is WIJFNGMCGSJPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-17-7-11-19(12-8-17)26-31(29,30)21-13-9-18(10-14-21)23(28)24-22-15-16-27(25-22)20-5-3-2-4-6-20/h2-16,26H,1H3,(H,24,25,28).
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
4-[(4-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-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55537155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).