5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole

C23H24F2N2O2S — CID 23288089

IUPAC5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole
SMILESCc1cc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)cc(F)c32)c(C)c1
InChIInChI=1S/C23H24F2N2O2S/c1-14-9-15(2)23(16(3)10-14)30(28,29)27-13-20(17-5-7-26(4)8-6-17)19-11-18(24)12-21(25)22(19)27/h5,9-13H,6-8H2,1-4H3
InChIKeyBXWABEHSUKIMAP-UHFFFAOYSA-N
MW430.52 g/mol
LogP4.80
Rot. Bonds3

About 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole

5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole (PubChem CID 23288089) has the molecular formula C23H24F2N2O2S and a molecular weight of 430.52 g/mol. Its IUPAC name is 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole.

Molecular Properties

Compound Name5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole
PubChem CID23288089
Molecular FormulaC23H24F2N2O2S
Molecular Weight430.52 g/mol
Exact Mass430.15
IUPAC Name5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole
SMILESCc1cc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)cc(F)c32)c(C)c1
InChIInChI=1S/C23H24F2N2O2S/c1-14-9-15(2)23(16(3)10-14)30(28,29)27-13-20(17-5-7-26(4)8-6-17)19-11-18(24)12-21(25)22(19)27/h5,9-13H,6-8H2,1-4H3
InChIKeyBXWABEHSUKIMAP-UHFFFAOYSA-N
XLogP4.80
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole?
The IUPAC name of 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole (CID 23288089) is 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole.
What is the SMILES notation for 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole?
The canonical SMILES for 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole is Cc1cc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)cc(F)c32)c(C)c1.
What is the InChIKey of 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole?
The InChIKey is BXWABEHSUKIMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2S/c1-14-9-15(2)23(16(3)10-14)30(28,29)27-13-20(17-5-7-26(4)8-6-17)19-11-18(24)12-21(25)22(19)27/h5,9-13H,6-8H2,1-4H3.
What are the key properties of 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole?
5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole has a molecular weight of 430.52 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole is sourced from PubChem (CID 23288089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).