(1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene

C20H13F6N3O2S — CID 73355023

IUPAC(1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1[C@@H]2c3ccc(C(F)(F)F)cc3[C@H]1Cc1[nH]ncc12
InChIInChI=1S/C20H13F6N3O2S/c21-19(22,23)10-2-1-3-12(6-10)32(30,31)29-17-8-16-15(9-27-28-16)18(29)13-5-4-11(7-14(13)17)20(24,25)26/h1-7,9,17-18H,8H2,(H,27,28)/t17-,18-/m1/s1
InChIKeyWNOXTRKBDDGWQJ-QZTJIDSGSA-N
MW473.40 g/mol
LogP4.84
Rot. Bonds2

About (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene

(1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene (PubChem CID 73355023) has the molecular formula C20H13F6N3O2S and a molecular weight of 473.40 g/mol. Its IUPAC name is (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene.

Molecular Properties

Compound Name(1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
PubChem CID73355023
Molecular FormulaC20H13F6N3O2S
Molecular Weight473.40 g/mol
Exact Mass473.06
IUPAC Name(1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1[C@@H]2c3ccc(C(F)(F)F)cc3[C@H]1Cc1[nH]ncc12
InChIInChI=1S/C20H13F6N3O2S/c21-19(22,23)10-2-1-3-12(6-10)32(30,31)29-17-8-16-15(9-27-28-16)18(29)13-5-4-11(7-14(13)17)20(24,25)26/h1-7,9,17-18H,8H2,(H,27,28)/t17-,18-/m1/s1
InChIKeyWNOXTRKBDDGWQJ-QZTJIDSGSA-N
XLogP4.84
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene with MolForge

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Related Compounds

(4R,6R)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46883804
7,7-difluoro-4-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890820
(1S,8R)-13-fluoro-15-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552168
(1S,8R)-13-fluoro-15-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552253
(1R,8R)-10-fluoro-15-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 73345935
(1R,8R)-12-chloro-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 73348985
(1S,8R)-10,13-difluoro-15-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
CID 73350542
(1S,8R)-13-chloro-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 73352062
CID 56679251
CID 56679251
(9S)-9-phenyl-12-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 56672571
(11S)-11-phenyl-12-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 56672708
(1S,8R)-15-(3,4-difluorophenyl)sulfonyl-13-fluoro-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552254

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene?
The IUPAC name of (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene (CID 73355023) is (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene.
What is the SMILES notation for (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene?
The canonical SMILES for (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene is O=S(=O)(c1cccc(C(F)(F)F)c1)N1[C@@H]2c3ccc(C(F)(F)F)cc3[C@H]1Cc1[nH]ncc12.
What is the InChIKey of (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene?
The InChIKey is WNOXTRKBDDGWQJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H13F6N3O2S/c21-19(22,23)10-2-1-3-12(6-10)32(30,31)29-17-8-16-15(9-27-28-16)18(29)13-5-4-11(7-14(13)17)20(24,25)26/h1-7,9,17-18H,8H2,(H,27,28)/t17-,18-/m1/s1.
What are the key properties of (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene?
(1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene has a molecular weight of 473.40 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene is sourced from PubChem (CID 73355023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).