3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide

C22H16FN3O3S — CID 155969924

IUPAC3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H16FN3O3S/c23-17-12-10-16(11-13-17)19-14-20(25-24-19)22(27)26-30(28,29)21-9-5-4-8-18(21)15-6-2-1-3-7-15/h1-14H,(H,24,25)(H,26,27)
InChIKeyZOOBXTWUADPTJI-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.00
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide (PubChem CID 155969924) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide
PubChem CID155969924
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC Name3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H16FN3O3S/c23-17-12-10-16(11-13-17)19-14-20(25-24-19)22(27)26-30(28,29)21-9-5-4-8-18(21)15-6-2-1-3-7-15/h1-14H,(H,24,25)(H,26,27)
InChIKeyZOOBXTWUADPTJI-UHFFFAOYSA-N
XLogP4.00
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide (CID 155969924) is 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide is O=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZOOBXTWUADPTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-17-12-10-16(11-13-17)19-14-20(25-24-19)22(27)26-30(28,29)21-9-5-4-8-18(21)15-6-2-1-3-7-15/h1-14H,(H,24,25)(H,26,27).
What are the key properties of 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-phenylphenyl)sulfonyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 155969924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).