6-chloro-1-oxido-2-phenyl-2H-indol-3-one

C14H9ClNO2- — CID 101253591

IUPAC6-chloro-1-oxido-2-phenyl-2H-indol-3-one
SMILESO=C1c2ccc(Cl)cc2N([O-])C1c1ccccc1
InChIInChI=1S/C14H9ClNO2/c15-10-6-7-11-12(8-10)16(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H/q-1
InChIKeyRQTHCSVOPGLTSB-UHFFFAOYSA-N
MW258.68 g/mol
LogP3.58
Rot. Bonds1

About 6-chloro-1-oxido-2-phenyl-2H-indol-3-one

6-chloro-1-oxido-2-phenyl-2H-indol-3-one (PubChem CID 101253591) has the molecular formula C14H9ClNO2- and a molecular weight of 258.68 g/mol. Its IUPAC name is 6-chloro-1-oxido-2-phenyl-2H-indol-3-one.

Molecular Properties

Compound Name6-chloro-1-oxido-2-phenyl-2H-indol-3-one
PubChem CID101253591
Molecular FormulaC14H9ClNO2-
Molecular Weight258.68 g/mol
Exact Mass258.03
IUPAC Name6-chloro-1-oxido-2-phenyl-2H-indol-3-one
SMILESO=C1c2ccc(Cl)cc2N([O-])C1c1ccccc1
InChIInChI=1S/C14H9ClNO2/c15-10-6-7-11-12(8-10)16(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H/q-1
InChIKeyRQTHCSVOPGLTSB-UHFFFAOYSA-N
XLogP3.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-oxido-2-phenyl-2H-indol-3-one?
The IUPAC name of 6-chloro-1-oxido-2-phenyl-2H-indol-3-one (CID 101253591) is 6-chloro-1-oxido-2-phenyl-2H-indol-3-one.
What is the SMILES notation for 6-chloro-1-oxido-2-phenyl-2H-indol-3-one?
The canonical SMILES for 6-chloro-1-oxido-2-phenyl-2H-indol-3-one is O=C1c2ccc(Cl)cc2N([O-])C1c1ccccc1.
What is the InChIKey of 6-chloro-1-oxido-2-phenyl-2H-indol-3-one?
The InChIKey is RQTHCSVOPGLTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClNO2/c15-10-6-7-11-12(8-10)16(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H/q-1.
What are the key properties of 6-chloro-1-oxido-2-phenyl-2H-indol-3-one?
6-chloro-1-oxido-2-phenyl-2H-indol-3-one has a molecular weight of 258.68 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-oxido-2-phenyl-2H-indol-3-one is sourced from PubChem (CID 101253591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).