6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole

C19H23NO3S — CID 70866228

IUPAC6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)N(S(=O)(=O)c1c(C)cc(OC)cc1C)CC2
InChIInChI=1S/C19H23NO3S/c1-5-15-6-7-16-8-9-20(18(16)12-15)24(21,22)19-13(2)10-17(23-4)11-14(19)3/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyIFMXQLHEFCLIJE-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.63
Rot. Bonds4

About 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole

6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 70866228) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID70866228
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)N(S(=O)(=O)c1c(C)cc(OC)cc1C)CC2
InChIInChI=1S/C19H23NO3S/c1-5-15-6-7-16-8-9-20(18(16)12-15)24(21,22)19-13(2)10-17(23-4)11-14(19)3/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyIFMXQLHEFCLIJE-UHFFFAOYSA-N
XLogP3.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole with MolForge

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Related Compounds

[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]methanamine
CID 70850537
2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]acetic acid
CID 59483826
1-(2-cyclobutyl-2,8-diazaspiro[4.5]decan-8-yl)-2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 46897095
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]methanone
CID 46896700
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine
CID 89331710
4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316150
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate
CID 59483850
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110370799
[(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol
CID 143858301

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole (CID 70866228) is 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole is CCc1ccc2c(c1)N(S(=O)(=O)c1c(C)cc(OC)cc1C)CC2.
What is the InChIKey of 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is IFMXQLHEFCLIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-5-15-6-7-16-8-9-20(18(16)12-15)24(21,22)19-13(2)10-17(23-4)11-14(19)3/h6-7,10-12H,5,8-9H2,1-4H3.
What are the key properties of 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole?
6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 345.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 70866228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).