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

C24H22N4O3S — CID 55537355

IUPAC4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccn(-c4ccccc4)n3)cc2)cc1C
InChIInChI=1S/C24H22N4O3S/c1-17-8-11-20(16-18(17)2)27-32(30,31)22-12-9-19(10-13-22)24(29)25-23-14-15-28(26-23)21-6-4-3-5-7-21/h3-16,27H,1-2H3,(H,25,26,29)
InChIKeyBEAMTAMQSKMSCG-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.54
Rot. Bonds6

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

4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 55537355) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID55537355
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccn(-c4ccccc4)n3)cc2)cc1C
InChIInChI=1S/C24H22N4O3S/c1-17-8-11-20(16-18(17)2)27-32(30,31)22-12-9-19(10-13-22)24(29)25-23-14-15-28(26-23)21-6-4-3-5-7-21/h3-16,27H,1-2H3,(H,25,26,29)
InChIKeyBEAMTAMQSKMSCG-UHFFFAOYSA-N
XLogP4.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536361
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
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537082
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537154
N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
CID 35799986
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
tert-butyl N-[4-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]carbamate
CID 55547621
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 47081142

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide (CID 55537355) is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccn(-c4ccccc4)n3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is BEAMTAMQSKMSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-17-8-11-20(16-18(17)2)27-32(30,31)22-12-9-19(10-13-22)24(29)25-23-14-15-28(26-23)21-6-4-3-5-7-21/h3-16,27H,1-2H3,(H,25,26,29).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide?
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55537355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).