1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole

C20H19NO3S — CID 56727561

IUPAC1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc2cc(S(=O)(=O)N3c4ccccc4CC3C)ccc2c1
InChIInChI=1S/C20H19NO3S/c1-14-11-17-5-3-4-6-20(17)21(14)25(22,23)19-10-8-15-12-18(24-2)9-7-16(15)13-19/h3-10,12-14H,11H2,1-2H3
InChIKeyQDGGXEQYFQYGQM-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.99
Rot. Bonds3

About 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole

1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 56727561) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID56727561
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc2cc(S(=O)(=O)N3c4ccccc4CC3C)ccc2c1
InChIInChI=1S/C20H19NO3S/c1-14-11-17-5-3-4-6-20(17)21(14)25(22,23)19-10-8-15-12-18(24-2)9-7-16(15)13-19/h3-10,12-14H,11H2,1-2H3
InChIKeyQDGGXEQYFQYGQM-UHFFFAOYSA-N
XLogP3.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole (CID 56727561) is 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole is COc1ccc2cc(S(=O)(=O)N3c4ccccc4CC3C)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is QDGGXEQYFQYGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-14-11-17-5-3-4-6-20(17)21(14)25(22,23)19-10-8-15-12-18(24-2)9-7-16(15)13-19/h3-10,12-14H,11H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 353.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 56727561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).