11-fluoro-13-methyl-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

C19H14F4N4O2S — CID 45278748

IUPAC11-fluoro-13-methyl-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
SMILESCc1cc(F)cc2c1C1c3cn[nH]c3CC2N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H14F4N4O2S/c1-9-4-10(20)5-12-15-6-14-13(8-25-26-14)18(17(9)12)27(15)30(28,29)11-2-3-16(24-7-11)19(21,22)23/h2-5,7-8,15,18H,6H2,1H3,(H,25,26)
InChIKeyAXRMLETUVFOEGG-UHFFFAOYSA-N
MW438.41 g/mol
LogP3.66
Rot. Bonds2

About 11-fluoro-13-methyl-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

11-fluoro-13-methyl-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 (PubChem CID 45278748) has the molecular formula C19H14F4N4O2S and a molecular weight of 438.41 g/mol. Its IUPAC name is 11-fluoro-13-methyl-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.

Molecular Properties

Compound Name11-fluoro-13-methyl-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
PubChem CID45278748
Molecular FormulaC19H14F4N4O2S
Molecular Weight438.41 g/mol
Exact Mass438.08
IUPAC Name11-fluoro-13-methyl-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
SMILESCc1cc(F)cc2c1C1c3cn[nH]c3CC2N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H14F4N4O2S/c1-9-4-10(20)5-12-15-6-14-13(8-25-26-14)18(17(9)12)27(15)30(28,29)11-2-3-16(24-7-11)19(21,22)23/h2-5,7-8,15,18H,6H2,1H3,(H,25,26)
InChIKeyAXRMLETUVFOEGG-UHFFFAOYSA-N
XLogP3.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-fluoro-13-methyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-13-methyl-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?
The IUPAC name of 11-fluoro-13-methyl-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 45278748) is 11-fluoro-13-methyl-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.
What is the SMILES notation for 11-fluoro-13-methyl-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?
The canonical SMILES for 11-fluoro-13-methyl-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 is Cc1cc(F)cc2c1C1c3cn[nH]c3CC2N1S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 11-fluoro-13-methyl-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?
The InChIKey is AXRMLETUVFOEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O2S/c1-9-4-10(20)5-12-15-6-14-13(8-25-26-14)18(17(9)12)27(15)30(28,29)11-2-3-16(24-7-11)19(21,22)23/h2-5,7-8,15,18H,6H2,1H3,(H,25,26).
What are the key properties of 11-fluoro-13-methyl-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?
11-fluoro-13-methyl-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 has a molecular weight of 438.41 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-13-methyl-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 is sourced from PubChem (CID 45278748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).