5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide

C24H22N4O4S — CID 55537082

IUPAC5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccn(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C24H22N4O4S/c1-17-8-13-21(33(30,31)27-18-9-11-20(32-2)12-10-18)16-22(17)24(29)25-23-14-15-28(26-23)19-6-4-3-5-7-19/h3-16,27H,1-2H3,(H,25,26,29)
InChIKeyKPKMQFKLMVMZTO-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.24
Rot. Bonds7

About 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 55537082) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID55537082
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccn(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C24H22N4O4S/c1-17-8-13-21(33(30,31)27-18-9-11-20(32-2)12-10-18)16-22(17)24(29)25-23-14-15-28(26-23)19-6-4-3-5-7-19/h3-16,27H,1-2H3,(H,25,26,29)
InChIKeyKPKMQFKLMVMZTO-UHFFFAOYSA-N
XLogP4.24
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537355
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55547983
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396261
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(phenylsulfamoyl)benzamide
CID 171985673
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
N-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55348347
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537154
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide (CID 55537082) is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccn(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is KPKMQFKLMVMZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-17-8-13-21(33(30,31)27-18-9-11-20(32-2)12-10-18)16-22(17)24(29)25-23-14-15-28(26-23)19-6-4-3-5-7-19/h3-16,27H,1-2H3,(H,25,26,29).
What are the key properties of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide?
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 462.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55537082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).