[(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol

C20H22N2O3S — CID 24775577

IUPAC[(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1ccc2c(CN3CCC[C@@H]3CO)cccc21
InChIInChI=1S/C20H22N2O3S/c23-15-17-7-5-12-21(17)14-16-6-4-10-20-19(16)11-13-22(20)26(24,25)18-8-2-1-3-9-18/h1-4,6,8-11,13,17,23H,5,7,12,14-15H2/t17-/m1/s1
InChIKeyVDINPVLYDUSHHP-QGZVFWFLSA-N
MW370.47 g/mol
LogP2.84
Rot. Bonds5

About [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 24775577) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID24775577
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name[(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1ccc2c(CN3CCC[C@@H]3CO)cccc21
InChIInChI=1S/C20H22N2O3S/c23-15-17-7-5-12-21(17)14-16-6-4-10-20-19(16)11-13-22(20)26(24,25)18-8-2-1-3-9-18/h1-4,6,8-11,13,17,23H,5,7,12,14-15H2/t17-/m1/s1
InChIKeyVDINPVLYDUSHHP-QGZVFWFLSA-N
XLogP2.84
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 24775577) is [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol is O=S(=O)(c1ccccc1)n1ccc2c(CN3CCC[C@@H]3CO)cccc21.
What is the InChIKey of [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is VDINPVLYDUSHHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-15-17-7-5-12-21(17)14-16-6-4-10-20-19(16)11-13-22(20)26(24,25)18-8-2-1-3-9-18/h1-4,6,8-11,13,17,23H,5,7,12,14-15H2/t17-/m1/s1.
What are the key properties of [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 370.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 24775577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).