3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide

C22H16F3N3O2S — CID 19041437

IUPAC3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2ccccc2)cc(-c2ccn[nH]2)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)20-19(15-9-5-2-6-10-15)17(18-11-12-27-28-18)13-16(21(20)31(26,29)30)14-7-3-1-4-8-14/h1-13H,(H,27,28)(H2,26,29,30)
InChIKeyAVSKEPRIAIAYTG-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.08
Rot. Bonds4

About 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide

3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 19041437) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID19041437
Molecular FormulaC22H16F3N3O2S
Molecular Weight443.45 g/mol
Exact Mass443.09
IUPAC Name3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2ccccc2)cc(-c2ccn[nH]2)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)20-19(15-9-5-2-6-10-15)17(18-11-12-27-28-18)13-16(21(20)31(26,29)30)14-7-3-1-4-8-14/h1-13H,(H,27,28)(H2,26,29,30)
InChIKeyAVSKEPRIAIAYTG-UHFFFAOYSA-N
XLogP5.08
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 1482150
N-(1H-indazol-6-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16280260
N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 17446157
2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 47062850
3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 56716593
4-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 19355311
4-[4-(3,4-dimethylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 19355362
4-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 19355467
4-[4-(2,4-dimethylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 19355504
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 19355542
4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 19355673

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 19041437) is 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(-c2ccccc2)cc(-c2ccn[nH]2)c(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AVSKEPRIAIAYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c23-22(24,25)20-19(15-9-5-2-6-10-15)17(18-11-12-27-28-18)13-16(21(20)31(26,29)30)14-7-3-1-4-8-14/h1-13H,(H,27,28)(H2,26,29,30).
What are the key properties of 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 443.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 19041437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).