4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide

C25H24N4O3S — CID 134034027

IUPAC4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-18-24(19(2)29(27-18)22-9-5-3-6-10-22)17-26-25(30)20-13-15-21(16-14-20)28-33(31,32)23-11-7-4-8-12-23/h3-16,28H,17H2,1-2H3,(H,26,30)
InChIKeyBPBYPUFWUBUVAR-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.22
Rot. Bonds7

About 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide

4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 134034027) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID134034027
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-18-24(19(2)29(27-18)22-9-5-3-6-10-22)17-26-25(30)20-13-15-21(16-14-20)28-33(31,32)23-11-7-4-8-12-23/h3-16,28H,17H2,1-2H3,(H,26,30)
InChIKeyBPBYPUFWUBUVAR-UHFFFAOYSA-N
XLogP4.22
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 4825742
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 27331227
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(ethylsulfamoyl)benzamide
CID 134034024
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19282557
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
3-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 17447862
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134013903
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274
3-acetyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191226
5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 134013910

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide (CID 134034027) is 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is BPBYPUFWUBUVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-18-24(19(2)29(27-18)22-9-5-3-6-10-22)17-26-25(30)20-13-15-21(16-14-20)28-33(31,32)23-11-7-4-8-12-23/h3-16,28H,17H2,1-2H3,(H,26,30).
What are the key properties of 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide?
4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 134034027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).