(4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone

C22H24F2N2O3S — CID 112834001

IUPAC(4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)N3CCc4c(F)cc(F)cc43)c2)C1
InChIInChI=1S/C22H24F2N2O3S/c1-14-8-15(2)13-25(12-14)30(28,29)18-5-3-4-16(9-18)22(27)26-7-6-19-20(24)10-17(23)11-21(19)26/h3-5,9-11,14-15H,6-8,12-13H2,1-2H3
InChIKeyNFTGWAJTNJBYHG-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.83
Rot. Bonds3

About (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone

(4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 112834001) has the molecular formula C22H24F2N2O3S and a molecular weight of 434.51 g/mol. Its IUPAC name is (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID112834001
Molecular FormulaC22H24F2N2O3S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name(4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)N3CCc4c(F)cc(F)cc43)c2)C1
InChIInChI=1S/C22H24F2N2O3S/c1-14-8-15(2)13-25(12-14)30(28,29)18-5-3-4-16(9-18)22(27)26-7-6-19-20(24)10-17(23)11-21(19)26/h3-5,9-11,14-15H,6-8,12-13H2,1-2H3
InChIKeyNFTGWAJTNJBYHG-UHFFFAOYSA-N
XLogP3.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone (CID 112834001) is (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)N3CCc4c(F)cc(F)cc43)c2)C1.
What is the InChIKey of (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is NFTGWAJTNJBYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3S/c1-14-8-15(2)13-25(12-14)30(28,29)18-5-3-4-16(9-18)22(27)26-7-6-19-20(24)10-17(23)11-21(19)26/h3-5,9-11,14-15H,6-8,12-13H2,1-2H3.
What are the key properties of (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone?
(4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 434.51 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 112834001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).