6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one

C14H9BrFNO2S — CID 143933047

IUPAC6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)c3ccc(F)cc3)c(Br)cc2N1
InChIInChI=1S/C14H9BrFNO2S/c15-11-7-12-8(6-14(18)17-12)5-13(11)20(19)10-3-1-9(16)2-4-10/h1-5,7H,6H2,(H,17,18)
InChIKeyNOMANIQABWIZOX-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.25
Rot. Bonds2

About 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one

6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one (PubChem CID 143933047) has the molecular formula C14H9BrFNO2S and a molecular weight of 354.20 g/mol. Its IUPAC name is 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one
PubChem CID143933047
Molecular FormulaC14H9BrFNO2S
Molecular Weight354.20 g/mol
Exact Mass352.95
IUPAC Name6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)c3ccc(F)cc3)c(Br)cc2N1
InChIInChI=1S/C14H9BrFNO2S/c15-11-7-12-8(6-14(18)17-12)5-13(11)20(19)10-3-1-9(16)2-4-10/h1-5,7H,6H2,(H,17,18)
InChIKeyNOMANIQABWIZOX-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one (CID 143933047) is 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)c3ccc(F)cc3)c(Br)cc2N1.
What is the InChIKey of 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one?
The InChIKey is NOMANIQABWIZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2S/c15-11-7-12-8(6-14(18)17-12)5-13(11)20(19)10-3-1-9(16)2-4-10/h1-5,7H,6H2,(H,17,18).
What are the key properties of 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one?
6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one has a molecular weight of 354.20 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(4-fluorophenyl)sulfinyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 143933047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).