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

C18H11F4N5O4S2 — CID 71716263

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

3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71716263) has the molecular formula C18H11F4N5O4S2 and a molecular weight of 501.44 g/mol. Its IUPAC name is 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
• PubChem CID: 71716263
• Molecular Formula: C18H11F4N5O4S2
• Molecular Weight: 501.44 g/mol
• Exact Mass: 501.02
• IUPAC Name: 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
• SMILES: O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2ccn[nH]2)c(F)c1
• InChI: InChI=1S/C18H11F4N5O4S2/c19-13-8-11(33(28,29)27-17-23-9-25-32-17)2-4-16(13)30-15-3-1-10(31-18(20,21)22)7-12(15)14-5-6-24-26-14/h1-9H,(H,24,26)(H,23,25,27)
• InChIKey: SDLYONLHLGHFOC-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 119.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.44
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?

The IUPAC name of 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71716263) is 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

What is the SMILES notation for 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?

The canonical SMILES for 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2ccn[nH]2)c(F)c1.

What is the InChIKey of 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?

The InChIKey is SDLYONLHLGHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5O4S2/c19-13-8-11(33(28,29)27-17-23-9-25-32-17)2-4-16(13)30-15-3-1-10(31-18(20,21)22)7-12(15)14-5-6-24-26-14/h1-9H,(H,24,26)(H,23,25,27).

What are the key properties of 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?

3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 501.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71716263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).