7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide

C17H16F3NO4S — CID 123973481

IUPAC7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2c1C(O)C(C)(F)C2
InChIInChI=1S/C17H16F3NO4S/c1-17(20)8-12-13(25-11-6-9(18)5-10(19)7-11)3-4-14(15(12)16(17)22)26(23,24)21-2/h3-7,16,21-22H,8H2,1-2H3
InChIKeyALFSUJFBYWOVOI-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.98
Rot. Bonds4

About 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide

7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide (PubChem CID 123973481) has the molecular formula C17H16F3NO4S and a molecular weight of 387.38 g/mol. Its IUPAC name is 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide.

Molecular Properties

Compound Name7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide
PubChem CID123973481
Molecular FormulaC17H16F3NO4S
Molecular Weight387.38 g/mol
Exact Mass387.08
IUPAC Name7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2c1C(O)C(C)(F)C2
InChIInChI=1S/C17H16F3NO4S/c1-17(20)8-12-13(25-11-6-9(18)5-10(19)7-11)3-4-14(15(12)16(17)22)26(23,24)21-2/h3-7,16,21-22H,8H2,1-2H3
InChIKeyALFSUJFBYWOVOI-UHFFFAOYSA-N
XLogP2.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide?
The IUPAC name of 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide (CID 123973481) is 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide.
What is the SMILES notation for 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide?
The canonical SMILES for 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide is CNS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2c1C(O)C(C)(F)C2.
What is the InChIKey of 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide?
The InChIKey is ALFSUJFBYWOVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4S/c1-17(20)8-12-13(25-11-6-9(18)5-10(19)7-11)3-4-14(15(12)16(17)22)26(23,24)21-2/h3-7,16,21-22H,8H2,1-2H3.
What are the key properties of 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide?
7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide has a molecular weight of 387.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide is sourced from PubChem (CID 123973481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).