5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide

C16H20FN5O4S — CID 122253326

About 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (PubChem CID 122253326) has the molecular formula C16H20FN5O4S and a molecular weight of 397.43 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
• PubChem CID: 122253326
• Molecular Formula: C16H20FN5O4S
• Molecular Weight: 397.43 g/mol
• Exact Mass: 397.12
• IUPAC Name: 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
• SMILES: COc1nc(CNS(=O)(=O)c2cc(F)ccc2OC)nc(N2CCCC2)n1
• InChI: InChI=1S/C16H20FN5O4S/c1-25-12-6-5-11(17)9-13(12)27(23,24)18-10-14-19-15(21-16(20-14)26-2)22-7-3-4-8-22/h5-6,9,18H,3-4,7-8,10H2,1-2H3
• InChIKey: SBGSNBQMYARIFK-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.43
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?

The IUPAC name of 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide (CID 122253326) is 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide.

What is the SMILES notation for 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?

The canonical SMILES for 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is COc1nc(CNS(=O)(=O)c2cc(F)ccc2OC)nc(N2CCCC2)n1.

What is the InChIKey of 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?

The InChIKey is SBGSNBQMYARIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O4S/c1-25-12-6-5-11(17)9-13(12)27(23,24)18-10-14-19-15(21-16(20-14)26-2)22-7-3-4-8-22/h5-6,9,18H,3-4,7-8,10H2,1-2H3.

What are the key properties of 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide?

5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122253326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).