5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole

C20H16N2O3S — CID 151974369

IUPAC5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole
SMILESCS(=O)(=O)c1ccc(Oc2ccc3[nH]c(-c4ccccn4)cc3c2)cc1
InChIInChI=1S/C20H16N2O3S/c1-26(23,24)17-8-5-15(6-9-17)25-16-7-10-18-14(12-16)13-20(22-18)19-4-2-3-11-21-19/h2-13,22H,1H3
InChIKeyUBIRZDXNNNXQFH-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.43
Rot. Bonds4

About 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole

5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole (PubChem CID 151974369) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole.

Molecular Properties

Compound Name5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole
PubChem CID151974369
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole
SMILESCS(=O)(=O)c1ccc(Oc2ccc3[nH]c(-c4ccccn4)cc3c2)cc1
InChIInChI=1S/C20H16N2O3S/c1-26(23,24)17-8-5-15(6-9-17)25-16-7-10-18-14(12-16)13-20(22-18)19-4-2-3-11-21-19/h2-13,22H,1H3
InChIKeyUBIRZDXNNNXQFH-UHFFFAOYSA-N
XLogP4.43
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole?
The IUPAC name of 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole (CID 151974369) is 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole.
What is the SMILES notation for 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole?
The canonical SMILES for 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole is CS(=O)(=O)c1ccc(Oc2ccc3[nH]c(-c4ccccn4)cc3c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole?
The InChIKey is UBIRZDXNNNXQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-26(23,24)17-8-5-15(6-9-17)25-16-7-10-18-14(12-16)13-20(22-18)19-4-2-3-11-21-19/h2-13,22H,1H3.
What are the key properties of 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole?
5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole has a molecular weight of 364.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole is sourced from PubChem (CID 151974369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).