3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile

C16H10F2N2O2S2 — CID 10109361

IUPAC3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile
SMILESCS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c(C#N)[nH]c2c1
InChIInChI=1S/C16H10F2N2O2S2/c1-24(21,22)10-3-4-11-13(7-10)20-14(8-19)16(11)23-15-5-2-9(17)6-12(15)18/h2-7,20H,1H3
InChIKeyXAOIOAYWZAVEIW-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.87
Rot. Bonds3

About 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile

3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile (PubChem CID 10109361) has the molecular formula C16H10F2N2O2S2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile
PubChem CID10109361
Molecular FormulaC16H10F2N2O2S2
Molecular Weight364.40 g/mol
Exact Mass364.02
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile
SMILESCS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c(C#N)[nH]c2c1
InChIInChI=1S/C16H10F2N2O2S2/c1-24(21,22)10-3-4-11-13(7-10)20-14(8-19)16(11)23-15-5-2-9(17)6-12(15)18/h2-7,20H,1H3
InChIKeyXAOIOAYWZAVEIW-UHFFFAOYSA-N
XLogP3.87
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile (CID 10109361) is 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile is CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c(C#N)[nH]c2c1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile?
The InChIKey is XAOIOAYWZAVEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2S2/c1-24(21,22)10-3-4-11-13(7-10)20-14(8-19)16(11)23-15-5-2-9(17)6-12(15)18/h2-7,20H,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile?
3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile has a molecular weight of 364.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carbonitrile is sourced from PubChem (CID 10109361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).