1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole

C16H17NO4S — CID 667701

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C16H17NO4S/c1-20-15-8-7-13(11-16(15)21-2)22(18,19)17-10-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3
InChIKeyOZLLCTRRCDHJDG-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.46
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole

1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 667701) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID667701
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C16H17NO4S/c1-20-15-8-7-13(11-16(15)21-2)22(18,19)17-10-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3
InChIKeyOZLLCTRRCDHJDG-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole (CID 667701) is 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is OZLLCTRRCDHJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-15-8-7-13(11-16(15)21-2)22(18,19)17-10-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole?
1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 319.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 667701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).