N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide

C19H25FN4O4S — CID 54639513

About N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide

N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 54639513) has the molecular formula C19H25FN4O4S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide
• PubChem CID: 54639513
• Molecular Formula: C19H25FN4O4S
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.16
• IUPAC Name: N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide
• SMILES: O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(F)cc1
• InChI: InChI=1S/C19H25FN4O4S/c20-14-3-6-16(7-4-14)29(26,27)22-17-8-5-15(28-19(17)12-25)9-10-24-11-18(21-23-24)13-1-2-13/h3-4,6-7,11,13,15,17,19,22,25H,1-2,5,8-10,12H2/t15-,17-,19+/m1/s1
• InChIKey: DBHQDXKAYSPQOJ-SUMDDJOVSA-N
• XLogP: 1.57
• TPSA: 106.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide (CID 54639513) is N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide.

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

The canonical SMILES for N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide is O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(F)cc1.

What is the InChIKey of N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide?

The InChIKey is DBHQDXKAYSPQOJ-SUMDDJOVSA-N. The full InChI is InChI=1S/C19H25FN4O4S/c20-14-3-6-16(7-4-14)29(26,27)22-17-8-5-15(28-19(17)12-25)9-10-24-11-18(21-23-24)13-1-2-13/h3-4,6-7,11,13,15,17,19,22,25H,1-2,5,8-10,12H2/t15-,17-,19+/m1/s1.

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

N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide has a molecular weight of 424.50 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 54639513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).