3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide

C22H18N4O3S — CID 148637488

IUPAC3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H18N4O3S/c27-22(24-19-15-23-26(16-19)20-10-3-1-4-11-20)17-8-7-9-18(14-17)25-30(28,29)21-12-5-2-6-13-21/h1-16,25H,(H,24,27)
InChIKeyNJJCFZXPOYOFGZ-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.93
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide

3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide (PubChem CID 148637488) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide
PubChem CID148637488
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H18N4O3S/c27-22(24-19-15-23-26(16-19)20-10-3-1-4-11-20)17-8-7-9-18(14-17)25-30(28,29)21-12-5-2-6-13-21/h1-16,25H,(H,24,27)
InChIKeyNJJCFZXPOYOFGZ-UHFFFAOYSA-N
XLogP3.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide
CID 135298636
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
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 44470083
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
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'-(2-fluorophenyl)sulfonyl-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298536
N'-(benzenesulfonyl)-2-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298537

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide (CID 148637488) is 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide is O=C(Nc1cnn(-c2ccccc2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide?
The InChIKey is NJJCFZXPOYOFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c27-22(24-19-15-23-26(16-19)20-10-3-1-4-11-20)17-8-7-9-18(14-17)25-30(28,29)21-12-5-2-6-13-21/h1-16,25H,(H,24,27).
What are the key properties of 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide?
3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide has a molecular weight of 418.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 148637488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).