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

C41H43ClF6N2O10S4 — CID 158387255

IUPAC3-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
SMILESCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2C2CC2)C1.CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2Cl)C1
InChIInChI=1S/C22H24F3NO5S2.C19H19ClF3NO5S2/c1-21(33(29,30)16-5-3-4-15(10-16)22(23,24)25)8-9-31-19(12-21)20-18(14-6-7-14)11-17(13-26-20)32(2,27)28;1-18(31(27,28)13-5-3-4-12(8-13)19(21,22)23)6-7-29-16(10-18)17-15(20)9-14(11-24-17)30(2,25)26/h3-5,10-11,13-14,19H,6-9,12H2,1-2H3;3-5,8-9,11,16H,6-7,10H2,1-2H3
InChIKeyGWMZNHPIMXAONS-UHFFFAOYSA-N
MW1001.51 g/mol
LogP8.71
Rot. Bonds9

About 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

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 (PubChem CID 158387255) has the molecular formula C41H43ClF6N2O10S4 and a molecular weight of 1001.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158387255
Molecular FormulaC41H43ClF6N2O10S4
Molecular Weight1001.51 g/mol
Exact Mass1000.14
IUPAC Name3-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
SMILESCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2C2CC2)C1.CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2Cl)C1
InChIInChI=1S/C22H24F3NO5S2.C19H19ClF3NO5S2/c1-21(33(29,30)16-5-3-4-15(10-16)22(23,24)25)8-9-31-19(12-21)20-18(14-6-7-14)11-17(13-26-20)32(2,27)28;1-18(31(27,28)13-5-3-4-12(8-13)19(21,22)23)6-7-29-16(10-18)17-15(20)9-14(11-24-17)30(2,25)26/h3-5,10-11,13-14,19H,6-9,12H2,1-2H3;3-5,8-9,11,16H,6-7,10H2,1-2H3
InChIKeyGWMZNHPIMXAONS-UHFFFAOYSA-N
XLogP8.71
TPSA180.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.51
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

2-[4-[3-(Difluoromethyl)phenyl]sulfonyl-4-methyloxan-2-yl]-3-methylsulfonyl-5-(trifluoromethyl)pyridine
CID 118434210
3-Chloro-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434231
3-Chloro-2-(4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydrofuran-2-yl)-5-(methylsulfonyl)pyridine
CID 118434238
3-chloro-2-(4-methyl-4-((3-(trifluoromethyl)phenyl)-sulfonyl)tetrahydro-2H-pyran-2-yl)-5-(methylsulfonyl)pyridine
CID 118434247
3-Chloro-5-methylsulfinyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434250
5-Methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-3-(trifluoromethyl)pyridine
CID 118434254
5-Chloro-3-methylsulfonyl-2-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434262
3-chloro-5-cyclopropyl-2-(4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-yl)pyridine
CID 118434267
3-Methyl-5-methylsulfonyl-2-[4-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonyl]-tetrahydro-pyran-2-yl]-pyridine
CID 118434273
3-chloro-2-(4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-yl)-5-(methylthio)pyridine
CID 118434289
3-Methylsulfonyl-2-[4-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonyl]-tetrahydro-pyran-2-yl]-5-(trifluoromethyl)-pyridine
CID 118434318
5-Chloro-2-[4-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonyl]-tetrahydro-pyran-2-yl]-pyridine
CID 118434331

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2C2CC2)C1.CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ncc(S(C)(=O)=O)cc2Cl)C1.
What is the InChIKey of 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?
The InChIKey is GWMZNHPIMXAONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO5S2.C19H19ClF3NO5S2/c1-21(33(29,30)16-5-3-4-15(10-16)22(23,24)25)8-9-31-19(12-21)20-18(14-6-7-14)11-17(13-26-20)32(2,27)28;1-18(31(27,28)13-5-3-4-12(8-13)19(21,22)23)6-7-29-16(10-18)17-15(20)9-14(11-24-17)30(2,25)26/h3-5,10-11,13-14,19H,6-9,12H2,1-2H3;3-5,8-9,11,16H,6-7,10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1001.51 g/mol, XLogP of 8.71, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158387255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).