3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H12F4N4O3S2 — CID 71719878

IUPAC3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2)c(F)c1
InChIInChI=1S/C19H12F4N4O3S2/c20-14-10-13(32(28,29)26-18-24-8-9-31-18)6-7-15(14)30-17-11-16(19(21,22)23)25-27(17)12-4-2-1-3-5-12/h1-11H,(H,24,26)
InChIKeyZQDMRQUKXIENME-UHFFFAOYSA-N
MW484.46 g/mol
LogP5.08
Rot. Bonds6

About 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71719878) has the molecular formula C19H12F4N4O3S2 and a molecular weight of 484.46 g/mol. Its IUPAC name is 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71719878
Molecular FormulaC19H12F4N4O3S2
Molecular Weight484.46 g/mol
Exact Mass484.03
IUPAC Name3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2)c(F)c1
InChIInChI=1S/C19H12F4N4O3S2/c20-14-10-13(32(28,29)26-18-24-8-9-31-18)6-7-15(14)30-17-11-16(19(21,22)23)25-27(17)12-4-2-1-3-5-12/h1-11H,(H,24,26)
InChIKeyZQDMRQUKXIENME-UHFFFAOYSA-N
XLogP5.08
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71719878) is 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZQDMRQUKXIENME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O3S2/c20-14-10-13(32(28,29)26-18-24-8-9-31-18)6-7-15(14)30-17-11-16(19(21,22)23)25-27(17)12-4-2-1-3-5-12/h1-11H,(H,24,26).
What are the key properties of 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 484.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71719878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).