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

C14H9BrFNO3S — CID 58484186

IUPAC6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)c3ccc(F)cc3)c(Br)cc2N1
InChIInChI=1S/C14H9BrFNO3S/c15-11-7-12-8(6-14(18)17-12)5-13(11)21(19,20)10-3-1-9(16)2-4-10/h1-5,7H,6H2,(H,17,18)
InChIKeyDASDUESQOMDOBH-UHFFFAOYSA-N
MW370.20 g/mol
LogP2.92
Rot. Bonds2

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

6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 58484186) has the molecular formula C14H9BrFNO3S and a molecular weight of 370.20 g/mol. Its IUPAC name is 6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID58484186
Molecular FormulaC14H9BrFNO3S
Molecular Weight370.20 g/mol
Exact Mass368.95
IUPAC Name6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)c3ccc(F)cc3)c(Br)cc2N1
InChIInChI=1S/C14H9BrFNO3S/c15-11-7-12-8(6-14(18)17-12)5-13(11)21(19,20)10-3-1-9(16)2-4-10/h1-5,7H,6H2,(H,17,18)
InChIKeyDASDUESQOMDOBH-UHFFFAOYSA-N
XLogP2.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one (CID 58484186) is 6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)c3ccc(F)cc3)c(Br)cc2N1.
What is the InChIKey of 6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is DASDUESQOMDOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO3S/c15-11-7-12-8(6-14(18)17-12)5-13(11)21(19,20)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)sulfonyl-1,3-dihydroindol-2-one?
6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 370.20 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(4-fluorophenyl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 58484186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).