N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide

C28H34FN5O5S — CID 130332585

About N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide

N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 130332585) has the molecular formula C28H34FN5O5S and a molecular weight of 571.68 g/mol. Its IUPAC name is N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
• PubChem CID: 130332585
• Molecular Formula: C28H34FN5O5S
• Molecular Weight: 571.68 g/mol
• Exact Mass: 571.23
• IUPAC Name: N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
• SMILES: COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2F)c1
• InChI: InChI=1S/C28H34FN5O5S/c1-19-16-33(17-20(2)39-19)18-21-4-5-24(25(29)12-21)26-13-22(6-7-30-26)32-40(35,36)27-14-23(15-31-28(27)37-3)34-8-10-38-11-9-34/h4-7,12-15,19-20H,8-11,16-18H2,1-3H3,(H,30,32)/t19-,20+
• InChIKey: PYEOWMYSNXSXCF-BGYRXZFFSA-N
• XLogP: 3.54
• TPSA: 106.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.68
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?

The IUPAC name of N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide (CID 130332585) is N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide.

What is the SMILES notation for N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?

The canonical SMILES for N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide is COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2F)c1.

What is the InChIKey of N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?

The InChIKey is PYEOWMYSNXSXCF-BGYRXZFFSA-N. The full InChI is InChI=1S/C28H34FN5O5S/c1-19-16-33(17-20(2)39-19)18-21-4-5-24(25(29)12-21)26-13-22(6-7-30-26)32-40(35,36)27-14-23(15-31-28(27)37-3)34-8-10-38-11-9-34/h4-7,12-15,19-20H,8-11,16-18H2,1-3H3,(H,30,32)/t19-,20+.

What are the key properties of N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?

N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 571.68 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 130332585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).