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

C17H19NO4S — CID 3151804

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1OC
InChIInChI=1S/C17H19NO4S/c1-12-10-13-6-4-5-7-15(13)18(12)23(19,20)14-8-9-16(21-2)17(11-14)22-3/h4-9,11-12H,10H2,1-3H3
InChIKeyAVOTYWHSCROOCD-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.84
Rot. Bonds4

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

1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 3151804) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID3151804
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1OC
InChIInChI=1S/C17H19NO4S/c1-12-10-13-6-4-5-7-15(13)18(12)23(19,20)14-8-9-16(21-2)17(11-14)22-3/h4-9,11-12H,10H2,1-3H3
InChIKeyAVOTYWHSCROOCD-UHFFFAOYSA-N
XLogP2.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 3151804) is 1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is AVOTYWHSCROOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-10-13-6-4-5-7-15(13)18(12)23(19,20)14-8-9-16(21-2)17(11-14)22-3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 333.41 g/mol, XLogP of 2.84, 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-methyl-2,3-dihydroindole is sourced from PubChem (CID 3151804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).