N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide

C24H16F3N5O4S2 — CID 162620900

About N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide

N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 162620900) has the molecular formula C24H16F3N5O4S2 and a molecular weight of 559.55 g/mol. Its IUPAC name is N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
• PubChem CID: 162620900
• Molecular Formula: C24H16F3N5O4S2
• Molecular Weight: 559.55 g/mol
• Exact Mass: 559.06
• IUPAC Name: N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
• SMILES: O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1cccs1
• InChI: InChI=1S/C24H16F3N5O4S2/c25-24(26,27)35-19-9-7-17(8-10-19)29-20-14-16(11-12-28-20)22-30-23(36-31-22)15-3-5-18(6-4-15)32-38(33,34)21-2-1-13-37-21/h1-14,32H,(H,28,29)
• InChIKey: UDSYYRSEAJXQBH-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 119.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.55
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide?

The IUPAC name of N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide (CID 162620900) is N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide?

The canonical SMILES for N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1)c1cccs1.

What is the InChIKey of N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide?

The InChIKey is UDSYYRSEAJXQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O4S2/c25-24(26,27)35-19-9-7-17(8-10-19)29-20-14-16(11-12-28-20)22-30-23(36-31-22)15-3-5-18(6-4-15)32-38(33,34)21-2-1-13-37-21/h1-14,32H,(H,28,29).

What are the key properties of N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide?

N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 559.55 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 162620900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).