6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole

C17H16F2N2O4S — CID 20824974

IUPAC6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole
SMILESCOc1ccnc(CS(=O)C2=Nc3cc(OC(F)F)ccc3C2)c1OC
InChIInChI=1S/C17H16F2N2O4S/c1-23-14-5-6-20-13(16(14)24-2)9-26(22)15-7-10-3-4-11(25-17(18)19)8-12(10)21-15/h3-6,8,17H,7,9H2,1-2H3
InChIKeyJGWMEJCFVQPJIE-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.24
Rot. Bonds6

About 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole

6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole (PubChem CID 20824974) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole
PubChem CID20824974
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole
SMILESCOc1ccnc(CS(=O)C2=Nc3cc(OC(F)F)ccc3C2)c1OC
InChIInChI=1S/C17H16F2N2O4S/c1-23-14-5-6-20-13(16(14)24-2)9-26(22)15-7-10-3-4-11(25-17(18)19)8-12(10)21-15/h3-6,8,17H,7,9H2,1-2H3
InChIKeyJGWMEJCFVQPJIE-UHFFFAOYSA-N
XLogP3.24
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole?
The IUPAC name of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole (CID 20824974) is 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole.
What is the SMILES notation for 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole?
The canonical SMILES for 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole is COc1ccnc(CS(=O)C2=Nc3cc(OC(F)F)ccc3C2)c1OC.
What is the InChIKey of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole?
The InChIKey is JGWMEJCFVQPJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c1-23-14-5-6-20-13(16(14)24-2)9-26(22)15-7-10-3-4-11(25-17(18)19)8-12(10)21-15/h3-6,8,17H,7,9H2,1-2H3.
What are the key properties of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole?
6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole has a molecular weight of 382.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole is sourced from PubChem (CID 20824974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).