[4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide

C18H16F3N3O2S — CID 22456018

IUPAC[4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
SMILESCc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-12-4-2-3-5-15(12)16-10-17(18(19,20)21)23-24(16)14-8-6-13(7-9-14)11-27(22,25)26/h2-10H,11H2,1H3,(H2,22,25,26)
InChIKeyZADKFWPMAUCLMW-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.66
Rot. Bonds4

About [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide

[4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide (PubChem CID 22456018) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
PubChem CID22456018
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name[4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
SMILESCc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-12-4-2-3-5-15(12)16-10-17(18(19,20)21)23-24(16)14-8-6-13(7-9-14)11-27(22,25)26/h2-10H,11H2,1H3,(H2,22,25,26)
InChIKeyZADKFWPMAUCLMW-UHFFFAOYSA-N
XLogP3.66
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
The IUPAC name of [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide (CID 22456018) is [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide is Cc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
The InChIKey is ZADKFWPMAUCLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-12-4-2-3-5-15(12)16-10-17(18(19,20)21)23-24(16)14-8-6-13(7-9-14)11-27(22,25)26/h2-10H,11H2,1H3,(H2,22,25,26).
What are the key properties of [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide?
[4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide has a molecular weight of 395.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 22456018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).