6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

C23H22F3N3O5S — CID 134344551

About 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134344551) has the molecular formula C23H22F3N3O5S and a molecular weight of 509.51 g/mol. Its IUPAC name is 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
• PubChem CID: 134344551
• Molecular Formula: C23H22F3N3O5S
• Molecular Weight: 509.51 g/mol
• Exact Mass: 509.12
• IUPAC Name: 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
• SMILES: Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(O[C@@H]3COCC3(C)O)n2)ccc1C(F)(F)F
• InChI: InChI=1S/C23H22F3N3O5S/c1-14-6-3-4-7-15(14)21-16(23(24,25)26)10-11-18(27-21)29-35(31,32)20-9-5-8-19(28-20)34-17-12-33-13-22(17,2)30/h3-11,17,30H,12-13H2,1-2H3,(H,27,29)/t17-,22?/m1/s1
• InChIKey: ULMCEXFNHMNRBM-PLEWWHCXSA-N
• XLogP: 3.80
• TPSA: 110.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?

The IUPAC name of 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134344551) is 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

What is the SMILES notation for 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?

The canonical SMILES for 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(O[C@@H]3COCC3(C)O)n2)ccc1C(F)(F)F.

What is the InChIKey of 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?

The InChIKey is ULMCEXFNHMNRBM-PLEWWHCXSA-N. The full InChI is InChI=1S/C23H22F3N3O5S/c1-14-6-3-4-7-15(14)21-16(23(24,25)26)10-11-18(27-21)29-35(31,32)20-9-5-8-19(28-20)34-17-12-33-13-22(17,2)30/h3-11,17,30H,12-13H2,1-2H3,(H,27,29)/t17-,22?/m1/s1.

What are the key properties of 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?

6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 509.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134344551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).