2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole

C14H12N2O2S2 — CID 142945825

IUPAC2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole
SMILESCSc1[nH]c2ccccc2c1S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H12N2O2S2/c1-19-14-13(10-6-2-3-7-11(10)16-14)20(17,18)12-8-4-5-9-15-12/h2-9,16H,1H3
InChIKeyQSSQOFIMAMNQTI-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.12
Rot. Bonds3

About 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole

2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole (PubChem CID 142945825) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole.

Molecular Properties

Compound Name2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole
PubChem CID142945825
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole
SMILESCSc1[nH]c2ccccc2c1S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H12N2O2S2/c1-19-14-13(10-6-2-3-7-11(10)16-14)20(17,18)12-8-4-5-9-15-12/h2-9,16H,1H3
InChIKeyQSSQOFIMAMNQTI-UHFFFAOYSA-N
XLogP3.12
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole?
The IUPAC name of 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole (CID 142945825) is 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole.
What is the SMILES notation for 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole?
The canonical SMILES for 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole is CSc1[nH]c2ccccc2c1S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole?
The InChIKey is QSSQOFIMAMNQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-19-14-13(10-6-2-3-7-11(10)16-14)20(17,18)12-8-4-5-9-15-12/h2-9,16H,1H3.
What are the key properties of 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole?
2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole has a molecular weight of 304.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-pyridin-2-ylsulfonyl-1H-indole is sourced from PubChem (CID 142945825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).