4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C19H20N4O3S — CID 134025456

IUPAC4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)[nH]n3)ccc2C)cc1
InChIInChI=1S/C19H20N4O3S/c1-12-4-8-16(9-5-12)23-27(25,26)17-11-15(7-6-13(17)2)19(24)20-18-10-14(3)21-22-18/h4-11,23H,1-3H3,(H2,20,21,22,24)
InChIKeyMAGRDAYPDRFLHG-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.39
Rot. Bonds5

About 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide

4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 134025456) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID134025456
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)[nH]n3)ccc2C)cc1
InChIInChI=1S/C19H20N4O3S/c1-12-4-8-16(9-5-12)23-27(25,26)17-11-15(7-6-13(17)2)19(24)20-18-10-14(3)21-22-18/h4-11,23H,1-3H3,(H2,20,21,22,24)
InChIKeyMAGRDAYPDRFLHG-UHFFFAOYSA-N
XLogP3.39
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1H-pyrazole-5-carboxylate
CID 146147712
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 136759077
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 113357499
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
N-(5-methyl-1H-pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 47038582
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 134025456) is 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)[nH]n3)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is MAGRDAYPDRFLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12-4-8-16(9-5-12)23-27(25,26)17-11-15(7-6-13(17)2)19(24)20-18-10-14(3)21-22-18/h4-11,23H,1-3H3,(H2,20,21,22,24).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 384.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 134025456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).