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

C19H10F6N4O3S2 — CID 71718005

IUPAC4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C19H10F6N4O3S2/c20-10-1-3-12(21)14(7-10)29-17(9-16(27-29)19(23,24)25)32-15-4-2-11(8-13(15)22)34(30,31)28-18-26-5-6-33-18/h1-9H,(H,26,28)
InChIKeyFWKLYNJEQGUMHQ-UHFFFAOYSA-N
MW520.44 g/mol
LogP5.36
Rot. Bonds6

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

4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71718005) has the molecular formula C19H10F6N4O3S2 and a molecular weight of 520.44 g/mol. Its IUPAC name is 4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71718005
Molecular FormulaC19H10F6N4O3S2
Molecular Weight520.44 g/mol
Exact Mass520.01
IUPAC Name4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C19H10F6N4O3S2/c20-10-1-3-12(21)14(7-10)29-17(9-16(27-29)19(23,24)25)32-15-4-2-11(8-13(15)22)34(30,31)28-18-26-5-6-33-18/h1-9H,(H,26,28)
InChIKeyFWKLYNJEQGUMHQ-UHFFFAOYSA-N
XLogP5.36
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71718005) is 4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2cc(F)ccc2F)c(F)c1.
What is the InChIKey of 4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FWKLYNJEQGUMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N4O3S2/c20-10-1-3-12(21)14(7-10)29-17(9-16(27-29)19(23,24)25)32-15-4-2-11(8-13(15)22)34(30,31)28-18-26-5-6-33-18/h1-9H,(H,26,28).
What are the key properties of 4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 520.44 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71718005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).