1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole

C19H20N2O2S — CID 56659681

IUPAC1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1
InChIInChI=1S/C19H20N2O2S/c1-20-12-11-15(13-20)18-14-21(19-10-6-5-9-17(18)19)24(22,23)16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3
InChIKeyUEMBANHXOBGHAG-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.30
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole

1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole (PubChem CID 56659681) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole
PubChem CID56659681
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1
InChIInChI=1S/C19H20N2O2S/c1-20-12-11-15(13-20)18-14-21(19-10-6-5-9-17(18)19)24(22,23)16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3
InChIKeyUEMBANHXOBGHAG-UHFFFAOYSA-N
XLogP3.30
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole?
The IUPAC name of 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole (CID 56659681) is 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole is CN1CCC(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole?
The InChIKey is UEMBANHXOBGHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-20-12-11-15(13-20)18-14-21(19-10-6-5-9-17(18)19)24(22,23)16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole?
1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole has a molecular weight of 340.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole is sourced from PubChem (CID 56659681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).