5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol

C16H15F2NO4S — CID 167433379

IUPAC5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol
SMILESCCS(=O)(=O)N1CCc2cc(Oc3ccc(F)cc3F)c(O)cc21
InChIInChI=1S/C16H15F2NO4S/c1-2-24(21,22)19-6-5-10-7-16(14(20)9-13(10)19)23-15-4-3-11(17)8-12(15)18/h3-4,7-9,20H,2,5-6H2,1H3
InChIKeySVXOXYULQKZFDH-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.17
Rot. Bonds4

About 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol

5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol (PubChem CID 167433379) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol
PubChem CID167433379
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Name5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol
SMILESCCS(=O)(=O)N1CCc2cc(Oc3ccc(F)cc3F)c(O)cc21
InChIInChI=1S/C16H15F2NO4S/c1-2-24(21,22)19-6-5-10-7-16(14(20)9-13(10)19)23-15-4-3-11(17)8-12(15)18/h3-4,7-9,20H,2,5-6H2,1H3
InChIKeySVXOXYULQKZFDH-UHFFFAOYSA-N
XLogP3.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol?
The IUPAC name of 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol (CID 167433379) is 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol?
The canonical SMILES for 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol is CCS(=O)(=O)N1CCc2cc(Oc3ccc(F)cc3F)c(O)cc21.
What is the InChIKey of 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol?
The InChIKey is SVXOXYULQKZFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-2-24(21,22)19-6-5-10-7-16(14(20)9-13(10)19)23-15-4-3-11(17)8-12(15)18/h3-4,7-9,20H,2,5-6H2,1H3.
What are the key properties of 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol?
5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol has a molecular weight of 355.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol is sourced from PubChem (CID 167433379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).