5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole

C16H13F2NO2S — CID 165006333

IUPAC5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole
SMILESC=C1Cc2cc(CS(=O)(=O)c3ccc(F)cc3F)ccc2N1
InChIInChI=1S/C16H13F2NO2S/c1-10-6-12-7-11(2-4-15(12)19-10)9-22(20,21)16-5-3-13(17)8-14(16)18/h2-5,7-8,19H,1,6,9H2
InChIKeyZZJPQHMIWMMBTC-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.42
Rot. Bonds3

About 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole

5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole (PubChem CID 165006333) has the molecular formula C16H13F2NO2S and a molecular weight of 321.35 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole
PubChem CID165006333
Molecular FormulaC16H13F2NO2S
Molecular Weight321.35 g/mol
Exact Mass321.06
IUPAC Name5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole
SMILESC=C1Cc2cc(CS(=O)(=O)c3ccc(F)cc3F)ccc2N1
InChIInChI=1S/C16H13F2NO2S/c1-10-6-12-7-11(2-4-15(12)19-10)9-22(20,21)16-5-3-13(17)8-14(16)18/h2-5,7-8,19H,1,6,9H2
InChIKeyZZJPQHMIWMMBTC-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole?
The IUPAC name of 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole (CID 165006333) is 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole.
What is the SMILES notation for 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole?
The canonical SMILES for 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole is C=C1Cc2cc(CS(=O)(=O)c3ccc(F)cc3F)ccc2N1.
What is the InChIKey of 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole?
The InChIKey is ZZJPQHMIWMMBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2S/c1-10-6-12-7-11(2-4-15(12)19-10)9-22(20,21)16-5-3-13(17)8-14(16)18/h2-5,7-8,19H,1,6,9H2.
What are the key properties of 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole?
5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole has a molecular weight of 321.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole is sourced from PubChem (CID 165006333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).