5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one

C16H14F2N2O2S — CID 162524947

IUPAC5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(SNCc3cccc(OC(F)F)c3)ccc2N1
InChIInChI=1S/C16H14F2N2O2S/c17-16(18)22-12-3-1-2-10(6-12)9-19-23-13-4-5-14-11(7-13)8-15(21)20-14/h1-7,16,19H,8-9H2,(H,20,21)
InChIKeyQXBPHNBQXXGTNC-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.58
Rot. Bonds6

About 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one

5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one (PubChem CID 162524947) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one
PubChem CID162524947
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(SNCc3cccc(OC(F)F)c3)ccc2N1
InChIInChI=1S/C16H14F2N2O2S/c17-16(18)22-12-3-1-2-10(6-12)9-19-23-13-4-5-14-11(7-13)8-15(21)20-14/h1-7,16,19H,8-9H2,(H,20,21)
InChIKeyQXBPHNBQXXGTNC-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one (CID 162524947) is 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one is O=C1Cc2cc(SNCc3cccc(OC(F)F)c3)ccc2N1.
What is the InChIKey of 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is QXBPHNBQXXGTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c17-16(18)22-12-3-1-2-10(6-12)9-19-23-13-4-5-14-11(7-13)8-15(21)20-14/h1-7,16,19H,8-9H2,(H,20,21).
What are the key properties of 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one?
5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 336.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 162524947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).