6-phenylsulfanyl-1,3-dihydroindol-2-one

C14H11NOS — CID 21481215

IUPAC6-phenylsulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Sc3ccccc3)cc2N1
InChIInChI=1S/C14H11NOS/c16-14-8-10-6-7-12(9-13(10)15-14)17-11-4-2-1-3-5-11/h1-7,9H,8H2,(H,15,16)
InChIKeyNBYQSHSIUKACAQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.33
Rot. Bonds2

About 6-phenylsulfanyl-1,3-dihydroindol-2-one

6-phenylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 21481215) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-phenylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-phenylsulfanyl-1,3-dihydroindol-2-one
PubChem CID21481215
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name6-phenylsulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(Sc3ccccc3)cc2N1
InChIInChI=1S/C14H11NOS/c16-14-8-10-6-7-12(9-13(10)15-14)17-11-4-2-1-3-5-11/h1-7,9H,8H2,(H,15,16)
InChIKeyNBYQSHSIUKACAQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-1,3-dihydroindol-2-one
CID 10536384
5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 18973044
6-phenoxy-1,3-dihydroindol-2-one
CID 70875374
2-(2-nitro-5-phenylsulfanylphenyl)acetic acid;5-phenylsulfanyl-1,3-dihydroindol-2-one
CID 159958365
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
1,3-dihydroindol-2-one;ethane
CID 54350510
7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43450016
6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
CID 86611692
acetic acid;1,3-dihydroindol-2-one
CID 158067424
2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
CID 2750259
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128

Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 6-phenylsulfanyl-1,3-dihydroindol-2-one (CID 21481215) is 6-phenylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-phenylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-phenylsulfanyl-1,3-dihydroindol-2-one is O=C1Cc2ccc(Sc3ccccc3)cc2N1.
What is the InChIKey of 6-phenylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is NBYQSHSIUKACAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14-8-10-6-7-12(9-13(10)15-14)17-11-4-2-1-3-5-11/h1-7,9H,8H2,(H,15,16).
What are the key properties of 6-phenylsulfanyl-1,3-dihydroindol-2-one?
6-phenylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 241.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 21481215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).