N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

C26H26N4O3S — CID 55551193

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H26N4O3S/c1-19-12-14-23(15-13-19)29(3)34(32,33)24-11-7-10-22(17-24)26(31)27-25-16-20(2)28-30(25)18-21-8-5-4-6-9-21/h4-17H,18H2,1-3H3,(H,27,31)
InChIKeyRDMOYBFKHWQYJI-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.63
Rot. Bonds7

About N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 55551193) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
PubChem CID55551193
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H26N4O3S/c1-19-12-14-23(15-13-19)29(3)34(32,33)24-11-7-10-22(17-24)26(31)27-25-16-20(2)28-30(25)18-21-8-5-4-6-9-21/h4-17H,18H2,1-3H3,(H,27,31)
InChIKeyRDMOYBFKHWQYJI-UHFFFAOYSA-N
XLogP4.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 132670833
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
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N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 43052469
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369730
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438
N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (CID 55551193) is N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3Cc3ccccc3)c2)cc1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is RDMOYBFKHWQYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-19-12-14-23(15-13-19)29(3)34(32,33)24-11-7-10-22(17-24)26(31)27-25-16-20(2)28-30(25)18-21-8-5-4-6-9-21/h4-17H,18H2,1-3H3,(H,27,31).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 474.59 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55551193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).