N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide

C20H21F2N5O3S — CID 133355185

About N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide (PubChem CID 133355185) has the molecular formula C20H21F2N5O3S and a molecular weight of 449.48 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide
• PubChem CID: 133355185
• Molecular Formula: C20H21F2N5O3S
• Molecular Weight: 449.48 g/mol
• Exact Mass: 449.13
• IUPAC Name: N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide
• SMILES: Cc1cnn(CC2CN(c3ccc(S(=O)(=O)Nc4ccc(F)c(F)c4)cn3)CCO2)c1
• InChI: InChI=1S/C20H21F2N5O3S/c1-14-9-24-27(11-14)13-16-12-26(6-7-30-16)20-5-3-17(10-23-20)31(28,29)25-15-2-4-18(21)19(22)8-15/h2-5,8-11,16,25H,6-7,12-13H2,1H3
• InChIKey: ZFUBZJQYPSDJDG-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.48
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide?

The IUPAC name of N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide (CID 133355185) is N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide.

What is the SMILES notation for N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide?

The canonical SMILES for N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide is Cc1cnn(CC2CN(c3ccc(S(=O)(=O)Nc4ccc(F)c(F)c4)cn3)CCO2)c1.

What is the InChIKey of N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide?

The InChIKey is ZFUBZJQYPSDJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3S/c1-14-9-24-27(11-14)13-16-12-26(6-7-30-16)20-5-3-17(10-23-20)31(28,29)25-15-2-4-18(21)19(22)8-15/h2-5,8-11,16,25H,6-7,12-13H2,1H3.

What are the key properties of N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide?

N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide has a molecular weight of 449.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133355185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).