4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide

C24H22N4O3S — CID 46644099

IUPAC4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C24H22N4O3S/c1-27(32(30,31)22-14-12-19(13-15-22)24(25)29)16-20-17-28(21-10-6-3-7-11-21)26-23(20)18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H2,25,29)
InChIKeyBRQYLLNTVFBDTK-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.46
Rot. Bonds7

About 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide

4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide (PubChem CID 46644099) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
PubChem CID46644099
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C24H22N4O3S/c1-27(32(30,31)22-14-12-19(13-15-22)24(25)29)16-20-17-28(21-10-6-3-7-11-21)26-23(20)18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H2,25,29)
InChIKeyBRQYLLNTVFBDTK-UHFFFAOYSA-N
XLogP3.46
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 46492219
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2093777
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 25499499
(1,3-diphenylpyrazol-4-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 2093367
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42348958
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
CID 34708687
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 60542557

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
The IUPAC name of 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide (CID 46644099) is 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide.
What is the SMILES notation for 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
The canonical SMILES for 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
The InChIKey is BRQYLLNTVFBDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-27(32(30,31)22-14-12-19(13-15-22)24(25)29)16-20-17-28(21-10-6-3-7-11-21)26-23(20)18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H2,25,29).
What are the key properties of 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide has a molecular weight of 446.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide is sourced from PubChem (CID 46644099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).