N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide

C27H32FN5O4S — CID 130332656

About N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide

N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 130332656) has the molecular formula C27H32FN5O4S and a molecular weight of 541.65 g/mol. Its IUPAC name is N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
• PubChem CID: 130332656
• Molecular Formula: C27H32FN5O4S
• Molecular Weight: 541.65 g/mol
• Exact Mass: 541.22
• IUPAC Name: N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
• SMILES: COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCCCC3)cc2F)c1
• InChI: InChI=1S/C27H32FN5O4S/c1-36-27-26(17-22(18-30-27)33-11-13-37-14-12-33)38(34,35)31-21-7-8-29-25(16-21)23-6-5-20(15-24(23)28)19-32-9-3-2-4-10-32/h5-8,15-18H,2-4,9-14,19H2,1H3,(H,29,31)
• InChIKey: BRSCAWMIYKDELA-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 96.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.65
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?

The IUPAC name of N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide (CID 130332656) is N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide.

What is the SMILES notation for N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?

The canonical SMILES for N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide is COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCCCC3)cc2F)c1.

What is the InChIKey of N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?

The InChIKey is BRSCAWMIYKDELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O4S/c1-36-27-26(17-22(18-30-27)33-11-13-37-14-12-33)38(34,35)31-21-7-8-29-25(16-21)23-6-5-20(15-24(23)28)19-32-9-3-2-4-10-32/h5-8,15-18H,2-4,9-14,19H2,1H3,(H,29,31).

What are the key properties of N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?

N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 541.65 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 130332656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).