1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one

C15H11F2NO3S — CID 143074366

IUPAC1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1S(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H11F2NO3S/c16-12-5-3-6-13(17)11(12)9-22(20,21)18-14-7-2-1-4-10(14)8-15(18)19/h1-7H,8-9H2
InChIKeyJJGBSVOVGZWATC-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.38
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one

1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one (PubChem CID 143074366) has the molecular formula C15H11F2NO3S and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one
PubChem CID143074366
Molecular FormulaC15H11F2NO3S
Molecular Weight323.32 g/mol
Exact Mass323.04
IUPAC Name1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1S(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H11F2NO3S/c16-12-5-3-6-13(17)11(12)9-22(20,21)18-14-7-2-1-4-10(14)8-15(18)19/h1-7H,8-9H2
InChIKeyJJGBSVOVGZWATC-UHFFFAOYSA-N
XLogP2.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one?
The IUPAC name of 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one (CID 143074366) is 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one?
The canonical SMILES for 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one is O=C1Cc2ccccc2N1S(=O)(=O)Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one?
The InChIKey is JJGBSVOVGZWATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3S/c16-12-5-3-6-13(17)11(12)9-22(20,21)18-14-7-2-1-4-10(14)8-15(18)19/h1-7H,8-9H2.
What are the key properties of 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one?
1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one has a molecular weight of 323.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one is sourced from PubChem (CID 143074366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).