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

C16H13F2NO2S2 — CID 22034374

IUPAC3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole
SMILESCc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1F
InChIInChI=1S/C16H13F2NO2S2/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
InChIKeyULIXZLFVBJBBTC-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.31
Rot. Bonds3

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

3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole (PubChem CID 22034374) has the molecular formula C16H13F2NO2S2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole
PubChem CID22034374
Molecular FormulaC16H13F2NO2S2
Molecular Weight353.42 g/mol
Exact Mass353.04
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole
SMILESCc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1F
InChIInChI=1S/C16H13F2NO2S2/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
InChIKeyULIXZLFVBJBBTC-UHFFFAOYSA-N
XLogP4.31
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole (CID 22034374) is 3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole is Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole?
The InChIKey is ULIXZLFVBJBBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2S2/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole?
3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole has a molecular weight of 353.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole is sourced from PubChem (CID 22034374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).