3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol

C59H62F11N3O18S6 — CID 159311103

IUPAC3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol
SMILESCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2O)C1.CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2OC(F)F)C1.COc1cc(S(C)(=O)=O)cnc1C1CC(C)(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C20H20F5NO6S2.C20H22F3NO6S2.C19H20F3NO6S2/c1-19(34(29,30)13-5-3-4-12(8-13)20(23,24)25)6-7-31-16(10-19)17-15(32-18(21)22)9-14(11-26-17)33(2,27)28;1-19(32(27,28)14-6-4-5-13(9-14)20(21,22)23)7-8-30-17(11-19)18-16(29-2)10-15(12-24-18)31(3,25)26;1-18(31(27,28)13-5-3-4-12(8-13)19(20,21)22)6-7-29-16(10-18)17-15(24)9-14(11-23-17)30(2,25)26/h3-5,8-9,11,16,18H,6-7,10H2,1-2H3;4-6,9-10,12,17H,7-8,11H2,1-3H3;3-5,8-9,11,16,24H,6-7,10H2,1-2H3
InChIKeyLCOBHBOVPBJABC-UHFFFAOYSA-N
MW1502.53 g/mol
LogP11.08
Rot. Bonds15

About 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol

3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol (PubChem CID 159311103) has the molecular formula C59H62F11N3O18S6 and a molecular weight of 1502.53 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol
PubChem CID159311103
Molecular FormulaC59H62F11N3O18S6
Molecular Weight1502.53 g/mol
Exact Mass1501.22
IUPAC Name3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol
SMILESCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2O)C1.CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2OC(F)F)C1.COc1cc(S(C)(=O)=O)cnc1C1CC(C)(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C20H20F5NO6S2.C20H22F3NO6S2.C19H20F3NO6S2/c1-19(34(29,30)13-5-3-4-12(8-13)20(23,24)25)6-7-31-16(10-19)17-15(32-18(21)22)9-14(11-26-17)33(2,27)28;1-19(32(27,28)14-6-4-5-13(9-14)20(21,22)23)7-8-30-17(11-19)18-16(29-2)10-15(12-24-18)31(3,25)26;1-18(31(27,28)13-5-3-4-12(8-13)19(20,21)22)6-7-29-16(10-18)17-15(24)9-14(11-23-17)30(2,25)26/h3-5,8-9,11,16,18H,6-7,10H2,1-2H3;4-6,9-10,12,17H,7-8,11H2,1-3H3;3-5,8-9,11,16,24H,6-7,10H2,1-2H3
InChIKeyLCOBHBOVPBJABC-UHFFFAOYSA-N
XLogP11.08
TPSA309.89 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001502.53
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol with MolForge

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Related Compounds

2-(4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-yl)-5-(methylsulfonyl)pyridin-3-ol
CID 118434339
3-methoxy-2-(4-methyl-4-(3-(trifluoromethyl)phenylsulfonyl)tetrahydro-2H-pyran-2-yl)-5-(methylsulfonyl)pyridine
CID 118434372
5-(difluoromethoxy)-2-(4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-yl)-3-(methylsulfonyl)pyridine
CID 118434405
3-(Difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434430
5-(difluoromethoxy)-2-(4-methyl-4-(3-(trifluoromethyl)phenylsulfonyl)tetrahydro-2H-pyran-2-yl)-3-(methylthio)pyridine
CID 118434473
2-(Difluoromethoxy)-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;2-methoxy-5-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazine
CID 118456531
3-(Difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118456567
3-Methoxy-5-methylsulfonyl-2-[4-methyl-3-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118456609
3-Methoxy-5-methylsulfonyl-2-[4-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118456611
3-(Difluoromethoxy)-5-methylsulfanyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine
CID 144946034
2-Butoxy-5-propan-2-ylpyridine;2-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-(3-fluoro-5-propan-2-yl-2-pyridinyl)propan-2-ol;3-methoxy-5-propan-2-ylpyridine;(3-methoxy-5-propan-2-yl-2-pyridinyl)methanol;3-methyl-5-propan-2-ylpyridine;3-methylsulfonyl-5-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;(5-propan-2-yl-3-pyridinyl)methanol;2-[(5-propan-2-yl-3-pyridinyl)oxy]ethanol;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;2-(5-propan-2-yl-3-pyridinyl)propan-2-ol;3-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyridine;5-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(3,3,3-trifluoropropoxy)pyridine
CID 158982707
3-Chloro-5-(difluoromethoxy)-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-(difluoromethoxy)-3-methylsulfanyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-(difluoromethoxy)-3-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 161106763

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol?
The IUPAC name of 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol (CID 159311103) is 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol.
What is the SMILES notation for 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol?
The canonical SMILES for 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol is CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2O)C1.CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2OC(F)F)C1.COc1cc(S(C)(=O)=O)cnc1C1CC(C)(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol?
The InChIKey is LCOBHBOVPBJABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5NO6S2.C20H22F3NO6S2.C19H20F3NO6S2/c1-19(34(29,30)13-5-3-4-12(8-13)20(23,24)25)6-7-31-16(10-19)17-15(32-18(21)22)9-14(11-26-17)33(2,27)28;1-19(32(27,28)14-6-4-5-13(9-14)20(21,22)23)7-8-30-17(11-19)18-16(29-2)10-15(12-24-18)31(3,25)26;1-18(31(27,28)13-5-3-4-12(8-13)19(20,21)22)6-7-29-16(10-18)17-15(24)9-14(11-23-17)30(2,25)26/h3-5,8-9,11,16,18H,6-7,10H2,1-2H3;4-6,9-10,12,17H,7-8,11H2,1-3H3;3-5,8-9,11,16,24H,6-7,10H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol?
3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol has a molecular weight of 1502.53 g/mol, XLogP of 11.08, 15 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-methoxy-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridin-3-ol is sourced from PubChem (CID 159311103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).