2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine

C19H22N2O2S — CID 10246789

IUPAC2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine
SMILESCc1c(S(=O)(=O)c2ccccc2)c2ccccc2n1CCN(C)C
InChIInChI=1S/C19H22N2O2S/c1-15-19(24(22,23)16-9-5-4-6-10-16)17-11-7-8-12-18(17)21(15)14-13-20(2)3/h4-12H,13-14H2,1-3H3
InChIKeyRIFXMYBRJYQMTK-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.34
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine

2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine (PubChem CID 10246789) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine
PubChem CID10246789
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine
SMILESCc1c(S(=O)(=O)c2ccccc2)c2ccccc2n1CCN(C)C
InChIInChI=1S/C19H22N2O2S/c1-15-19(24(22,23)16-9-5-4-6-10-16)17-11-7-8-12-18(17)21(15)14-13-20(2)3/h4-12H,13-14H2,1-3H3
InChIKeyRIFXMYBRJYQMTK-UHFFFAOYSA-N
XLogP3.34
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine (CID 10246789) is 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine is Cc1c(S(=O)(=O)c2ccccc2)c2ccccc2n1CCN(C)C.
What is the InChIKey of 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine?
The InChIKey is RIFXMYBRJYQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-15-19(24(22,23)16-9-5-4-6-10-16)17-11-7-8-12-18(17)21(15)14-13-20(2)3/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine?
2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine has a molecular weight of 342.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-2-methylindol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10246789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).