5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one

C15H11Br2NO4S — CID 18179983

IUPAC5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)Cc3cc(Br)cc(Br)c3O)ccc2N1
InChIInChI=1S/C15H11Br2NO4S/c16-10-3-9(15(20)12(17)6-10)7-23(21,22)11-1-2-13-8(4-11)5-14(19)18-13/h1-4,6,20H,5,7H2,(H,18,19)
InChIKeyJHOUYLCQDQELGL-UHFFFAOYSA-N
MW461.13 g/mol
LogP3.39
Rot. Bonds3

About 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one

5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one (PubChem CID 18179983) has the molecular formula C15H11Br2NO4S and a molecular weight of 461.13 g/mol. Its IUPAC name is 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
PubChem CID18179983
Molecular FormulaC15H11Br2NO4S
Molecular Weight461.13 g/mol
Exact Mass458.88
IUPAC Name5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)Cc3cc(Br)cc(Br)c3O)ccc2N1
InChIInChI=1S/C15H11Br2NO4S/c16-10-3-9(15(20)12(17)6-10)7-23(21,22)11-1-2-13-8(4-11)5-14(19)18-13/h1-4,6,20H,5,7H2,(H,18,19)
InChIKeyJHOUYLCQDQELGL-UHFFFAOYSA-N
XLogP3.39
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.13
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one (CID 18179983) is 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)Cc3cc(Br)cc(Br)c3O)ccc2N1.
What is the InChIKey of 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
The InChIKey is JHOUYLCQDQELGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO4S/c16-10-3-9(15(20)12(17)6-10)7-23(21,22)11-1-2-13-8(4-11)5-14(19)18-13/h1-4,6,20H,5,7H2,(H,18,19).
What are the key properties of 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one has a molecular weight of 461.13 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dibromo-2-hydroxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 18179983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).