4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C18H16F3N3O2S — CID 22315655

IUPAC4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1
InChIInChI=1S/C18H16F3N3O2S/c1-2-15-16(12-6-4-3-5-7-12)24(23-17(15)18(19,20)21)13-8-10-14(11-9-13)27(22,25)26/h3-11H,2H2,1H3,(H2,22,25,26)
InChIKeyOFEOPTAVXPVSEX-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.77
Rot. Bonds4

About 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315655) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315655
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1
InChIInChI=1S/C18H16F3N3O2S/c1-2-15-16(12-6-4-3-5-7-12)24(23-17(15)18(19,20)21)13-8-10-14(11-9-13)27(22,25)26/h3-11H,2H2,1H3,(H2,22,25,26)
InChIKeyOFEOPTAVXPVSEX-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315655) is 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CCc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1.
What is the InChIKey of 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is OFEOPTAVXPVSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-2-15-16(12-6-4-3-5-7-12)24(23-17(15)18(19,20)21)13-8-10-14(11-9-13)27(22,25)26/h3-11H,2H2,1H3,(H2,22,25,26).
What are the key properties of 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 395.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).