5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole

C18H21NO4S — CID 110714127

IUPAC5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C18H21NO4S/c1-12-9-17(23-4)18(10-13(12)2)24(20,21)19-8-7-14-11-15(22-3)5-6-16(14)19/h5-6,9-11H,7-8H2,1-4H3
InChIKeyDDSJNUBVMOQUED-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.07
Rot. Bonds4

About 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole

5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 110714127) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID110714127
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C18H21NO4S/c1-12-9-17(23-4)18(10-13(12)2)24(20,21)19-8-7-14-11-15(22-3)5-6-16(14)19/h5-6,9-11H,7-8H2,1-4H3
InChIKeyDDSJNUBVMOQUED-UHFFFAOYSA-N
XLogP3.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
CID 110714003
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 3852643
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996401
1-butylsulfonyl-5-methoxy-2,3-dihydroindole
CID 110714111
4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 112506210
4-[[5-(4-methoxyphenyl)-2,3-dihydroindol-1-yl]sulfonyl]-2-methylphenol
CID 149004728
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784403

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole (CID 110714127) is 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole is COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is DDSJNUBVMOQUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-9-17(23-4)18(10-13(12)2)24(20,21)19-8-7-14-11-15(22-3)5-6-16(14)19/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole?
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 347.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 110714127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).