4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide

C23H20N4O3S — CID 147709549

IUPAC4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(-n2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C23H20N4O3S/c1-17-7-13-21(14-8-17)27-16-20(15-24-27)25-23(28)18-9-11-19(12-10-18)26-31(29,30)22-5-3-2-4-6-22/h2-16,26H,1H3,(H,25,28)
InChIKeyGUKZFIAHQBVXRC-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.23
Rot. Bonds6

About 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide

4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide (PubChem CID 147709549) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
PubChem CID147709549
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(-n2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C23H20N4O3S/c1-17-7-13-21(14-8-17)27-16-20(15-24-27)25-23(28)18-9-11-19(12-10-18)26-31(29,30)22-5-3-2-4-6-22/h2-16,26H,1H3,(H,25,28)
InChIKeyGUKZFIAHQBVXRC-UHFFFAOYSA-N
XLogP4.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N'-(benzenesulfonyl)-2-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 124132137
N'-(benzenesulfonyl)-3-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298571
N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
CID 135298591
N'-(2-fluorophenyl)sulfonyl-3-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298640
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298783
N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide
CID 2104088
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 2109137

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide (CID 147709549) is 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide is Cc1ccc(-n2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cn2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide?
The InChIKey is GUKZFIAHQBVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-17-7-13-21(14-8-17)27-16-20(15-24-27)25-23(28)18-9-11-19(12-10-18)26-31(29,30)22-5-3-2-4-6-22/h2-16,26H,1H3,(H,25,28).
What are the key properties of 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide?
4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide has a molecular weight of 432.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 147709549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).