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

C59H57ClF15N3O14S5 — CID 161106763

IUPAC3-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
SMILESCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(OC(F)F)cc2Cl)C1.CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(OC(F)F)cc2S(C)(=O)=O)C1.CSc1cc(OC(F)F)cnc1C1CC(C)(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C20H20F5NO6S2.C20H20F5NO4S2.C19H17ClF5NO4S/c1-19(34(29,30)14-5-3-4-12(8-14)20(23,24)25)6-7-31-15(10-19)17-16(33(2,27)28)9-13(11-26-17)32-18(21)22;1-19(32(27,28)14-5-3-4-12(8-14)20(23,24)25)6-7-29-15(10-19)17-16(31-2)9-13(11-26-17)30-18(21)22;1-18(31(27,28)13-4-2-3-11(7-13)19(23,24)25)5-6-29-15(9-18)16-14(20)8-12(10-26-16)30-17(21)22/h3-5,8-9,11,15,18H,6-7,10H2,1-2H3;3-5,8-9,11,15,18H,6-7,10H2,1-2H3;2-4,7-8,10,15,17H,5-6,9H2,1H3
InChIKeyUJDOOLZCRLJZCQ-UHFFFAOYSA-N
MW1512.87 g/mol
LogP15.14
Rot. Bonds17

About 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

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 (PubChem CID 161106763) has the molecular formula C59H57ClF15N3O14S5 and a molecular weight of 1512.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID161106763
Molecular FormulaC59H57ClF15N3O14S5
Molecular Weight1512.87 g/mol
Exact Mass1511.19
IUPAC Name3-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
SMILESCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(OC(F)F)cc2Cl)C1.CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(OC(F)F)cc2S(C)(=O)=O)C1.CSc1cc(OC(F)F)cnc1C1CC(C)(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C20H20F5NO6S2.C20H20F5NO4S2.C19H17ClF5NO4S/c1-19(34(29,30)14-5-3-4-12(8-14)20(23,24)25)6-7-31-15(10-19)17-16(33(2,27)28)9-13(11-26-17)32-18(21)22;1-19(32(27,28)14-5-3-4-12(8-14)20(23,24)25)6-7-29-15(10-19)17-16(31-2)9-13(11-26-17)30-18(21)22;1-18(31(27,28)13-4-2-3-11(7-13)19(23,24)25)5-6-29-15(9-18)16-14(20)8-12(10-26-16)30-17(21)22/h3-5,8-9,11,15,18H,6-7,10H2,1-2H3;3-5,8-9,11,15,18H,6-7,10H2,1-2H3;2-4,7-8,10,15,17H,5-6,9H2,1H3
InChIKeyUJDOOLZCRLJZCQ-UHFFFAOYSA-N
XLogP15.14
TPSA230.61 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.87
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

3-Chloro-5-(difluoromethoxy)-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434209
3-chloro-2-(4-((3-(difluoromethoxy)phenyl)sulfonyl)-4-methyltetrahydro-2H-pyran-2-yl)-5-(methylthio)pyridine
CID 118434252
3-Chloro-2-[4-[[3-(difluoro-methoxy)-phenyl]sulfonyl]-4-methyl-tetrahydro-pyran-2-yl]-5-methylsulfonyl-pyridine
CID 118434321
3-Chloro-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethoxy)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434373
5-(difluoromethoxy)-2-(4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-yl)-3-(methylsulfonyl)pyridine
CID 118434405
5-(difluoromethoxy)-2-(4-methyl-4-(3-(trifluoromethyl)phenylsulfonyl)tetrahydro-2H-pyran-2-yl)-3-(methylthio)pyridine
CID 118434473
3-Chloro-2-[4-methyl-4-[3-(trifluoromethoxy)phenyl]sulfonyloxan-2-yl]-5-(trifluoromethyl)pyridine
CID 118434492
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-Chloro-5-(difluoromethoxy)-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpyran-2-yl]pyridine
CID 118456614
3-chloro-5-(difluoromethoxy)-2-[(2R,4S)-4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 129073414
3-Chloro-5-(difluoromethoxy)-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]pyridine
CID 138712387
3-Chloro-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine;3-cyclopropyl-5-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 158387255

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(OC(F)F)cc2Cl)C1.CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(OC(F)F)cc2S(C)(=O)=O)C1.CSc1cc(OC(F)F)cnc1C1CC(C)(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of 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?
The InChIKey is UJDOOLZCRLJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5NO6S2.C20H20F5NO4S2.C19H17ClF5NO4S/c1-19(34(29,30)14-5-3-4-12(8-14)20(23,24)25)6-7-31-15(10-19)17-16(33(2,27)28)9-13(11-26-17)32-18(21)22;1-19(32(27,28)14-5-3-4-12(8-14)20(23,24)25)6-7-29-15(10-19)17-16(31-2)9-13(11-26-17)30-18(21)22;1-18(31(27,28)13-4-2-3-11(7-13)19(23,24)25)5-6-29-15(9-18)16-14(20)8-12(10-26-16)30-17(21)22/h3-5,8-9,11,15,18H,6-7,10H2,1-2H3;3-5,8-9,11,15,18H,6-7,10H2,1-2H3;2-4,7-8,10,15,17H,5-6,9H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1512.87 g/mol, XLogP of 15.14, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161106763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).