2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide

C25H24N4O3S — CID 55841203

IUPAC2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C25H24N4O3S/c1-17-7-12-21(33(31,32)29-23-6-4-3-5-18(23)2)15-22(17)25(30)26-16-19-8-10-20(11-9-19)24-13-14-27-28-24/h3-15,29H,16H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyGOCPCGMDXIIIIT-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.42
Rot. Bonds7

About 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide

2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide (PubChem CID 55841203) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
PubChem CID55841203
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C25H24N4O3S/c1-17-7-12-21(33(31,32)29-23-6-4-3-5-18(23)2)15-22(17)25(30)26-16-19-8-10-20(11-9-19)24-13-14-27-28-24/h3-15,29H,16H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyGOCPCGMDXIIIIT-UHFFFAOYSA-N
XLogP4.42
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide
CID 55840948
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56586349
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 24683131
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31166045
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25470615
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 42279085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide (CID 55841203) is 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1.
What is the InChIKey of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
The InChIKey is GOCPCGMDXIIIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-7-12-21(33(31,32)29-23-6-4-3-5-18(23)2)15-22(17)25(30)26-16-19-8-10-20(11-9-19)24-13-14-27-28-24/h3-15,29H,16H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 55841203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).