3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one

C14H10F2N2OS — CID 43586977

IUPAC3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C14H10F2N2OS/c15-10-4-2-7(5-11(10)16)20-8-1-3-9-12(6-8)18-14(19)13(9)17/h1-6,13H,17H2,(H,18,19)
InChIKeyNLQBVTXSDDCYQT-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.07
Rot. Bonds2

About 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one

3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 43586977) has the molecular formula C14H10F2N2OS and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID43586977
Molecular FormulaC14H10F2N2OS
Molecular Weight292.31 g/mol
Exact Mass292.05
IUPAC Name3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C14H10F2N2OS/c15-10-4-2-7(5-11(10)16)20-8-1-3-9-12(6-8)18-14(19)13(9)17/h1-6,13H,17H2,(H,18,19)
InChIKeyNLQBVTXSDDCYQT-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
CID 61296785
3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 43586965
3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
CID 43586910
3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
CID 62268917
3-amino-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 63532617
3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923225
3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43586903
3-amino-6-(3-hydroxypropylsulfanyl)-1,3-dihydroindol-2-one
CID 66114529
3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one
CID 63738178
5-bromo-6-(3,4-difluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 79344171
3-amino-6-methyl-1,3-dihydroindol-2-one
CID 71306235
3-amino-6-(3,5-dichlorophenoxy)-1,3-dihydroindol-2-one
CID 63369969

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one (CID 43586977) is 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Sc3ccc(F)c(F)c3)ccc21.
What is the InChIKey of 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is NLQBVTXSDDCYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2OS/c15-10-4-2-7(5-11(10)16)20-8-1-3-9-12(6-8)18-14(19)13(9)17/h1-6,13H,17H2,(H,18,19).
What are the key properties of 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one?
3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 292.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3,4-difluorophenyl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).