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

C23H22F3N3O5S — CID 134344551

IUPAC6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(O[C@@H]3COCC3(C)O)n2)ccc1C(F)(F)F
InChIInChI=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
InChIKeyULMCEXFNHMNRBM-PLEWWHCXSA-N
MW509.51 g/mol
LogP3.80
Rot. Bonds6

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 Name6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134344551
Molecular FormulaC23H22F3N3O5S
Molecular Weight509.51 g/mol
Exact Mass509.12
IUPAC Name6-[(3R)-4-hydroxy-4-methyloxolan-3-yl]oxy-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(O[C@@H]3COCC3(C)O)n2)ccc1C(F)(F)F
InChIInChI=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
InChIKeyULMCEXFNHMNRBM-PLEWWHCXSA-N
XLogP3.80
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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).