2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide

C22H24F2N4O4S — CID 54643784

About 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide

2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide (PubChem CID 54643784) has the molecular formula C22H24F2N4O4S and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide
• PubChem CID: 54643784
• Molecular Formula: C22H24F2N4O4S
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.15
• IUPAC Name: 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide
• SMILES: O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1ccccc1F
• InChI: InChI=1S/C22H24F2N4O4S/c23-16-7-5-15(6-8-16)20-13-28(27-25-20)12-11-17-9-10-19(21(14-29)32-17)26-33(30,31)22-4-2-1-3-18(22)24/h1-8,13,17,19,21,26,29H,9-12,14H2/t17-,19-,21+/m1/s1
• InChIKey: PJULHSGMQWRVAA-QFUCXCTJSA-N
• XLogP: 2.50
• TPSA: 106.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide?

The IUPAC name of 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide (CID 54643784) is 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide.

What is the SMILES notation for 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide?

The canonical SMILES for 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1ccccc1F.

What is the InChIKey of 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide?

The InChIKey is PJULHSGMQWRVAA-QFUCXCTJSA-N. The full InChI is InChI=1S/C22H24F2N4O4S/c23-16-7-5-15(6-8-16)20-13-28(27-25-20)12-11-17-9-10-19(21(14-29)32-17)26-33(30,31)22-4-2-1-3-18(22)24/h1-8,13,17,19,21,26,29H,9-12,14H2/t17-,19-,21+/m1/s1.

What are the key properties of 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide?

2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide has a molecular weight of 478.52 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzenesulfonamide is sourced from PubChem (CID 54643784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).