2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H11F5N4O4S2 — CID 71719319

IUPAC2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(F)c(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)cc1F
InChIInChI=1S/C19H11F5N4O4S2/c20-13-7-17(34(29,30)28-18-25-3-4-33-18)14(21)6-16(13)31-15-2-1-11(32-19(22,23)24)5-12(15)10-8-26-27-9-10/h1-9H,(H,25,28)(H,26,27)
InChIKeyOWPYGSXSZDQFCR-UHFFFAOYSA-N
MW518.45 g/mol
LogP5.30
Rot. Bonds7

About 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71719319) has the molecular formula C19H11F5N4O4S2 and a molecular weight of 518.45 g/mol. Its IUPAC name is 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71719319
Molecular FormulaC19H11F5N4O4S2
Molecular Weight518.45 g/mol
Exact Mass518.01
IUPAC Name2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(F)c(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)cc1F
InChIInChI=1S/C19H11F5N4O4S2/c20-13-7-17(34(29,30)28-18-25-3-4-33-18)14(21)6-16(13)31-15-2-1-11(32-19(22,23)24)5-12(15)10-8-26-27-9-10/h1-9H,(H,25,28)(H,26,27)
InChIKeyOWPYGSXSZDQFCR-UHFFFAOYSA-N
XLogP5.30
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71719319) is 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1cc(F)c(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is OWPYGSXSZDQFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N4O4S2/c20-13-7-17(34(29,30)28-18-25-3-4-33-18)14(21)6-16(13)31-15-2-1-11(32-19(22,23)24)5-12(15)10-8-26-27-9-10/h1-9H,(H,25,28)(H,26,27).
What are the key properties of 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 518.45 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71719319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).