1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole

C20H22N2O2S — CID 11624561

IUPAC1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
SMILESCN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m1/s1
InChIKeyARMHUQQMXHTFEW-QGZVFWFLSA-N
MW354.48 g/mol
LogP3.52
Rot. Bonds4

About 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole

1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole (PubChem CID 11624561) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
PubChem CID11624561
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
SMILESCN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m1/s1
InChIKeyARMHUQQMXHTFEW-QGZVFWFLSA-N
XLogP3.52
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole?
The IUPAC name of 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole (CID 11624561) is 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole?
The canonical SMILES for 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole is CN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole?
The InChIKey is ARMHUQQMXHTFEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole?
1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole has a molecular weight of 354.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole is sourced from PubChem (CID 11624561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).