3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole

C18H18N2O2S — CID 110711055

IUPAC3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
SMILESO=S(=O)(c1ccccc1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H18N2O2S/c21-23(22,15-6-2-1-3-7-15)20-11-10-14(13-20)17-12-19-18-9-5-4-8-16(17)18/h1-9,12,14,19H,10-11,13H2
InChIKeyXRNZKWSHVOCTJD-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.35
Rot. Bonds3

About 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole

3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole (PubChem CID 110711055) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
PubChem CID110711055
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
SMILESO=S(=O)(c1ccccc1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H18N2O2S/c21-23(22,15-6-2-1-3-7-15)20-11-10-14(13-20)17-12-19-18-9-5-4-8-16(17)18/h1-9,12,14,19H,10-11,13H2
InChIKeyXRNZKWSHVOCTJD-UHFFFAOYSA-N
XLogP3.35
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole?
The IUPAC name of 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole (CID 110711055) is 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole.
What is the SMILES notation for 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole?
The canonical SMILES for 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole is O=S(=O)(c1ccccc1)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole?
The InChIKey is XRNZKWSHVOCTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-23(22,15-6-2-1-3-7-15)20-11-10-14(13-20)17-12-19-18-9-5-4-8-16(17)18/h1-9,12,14,19H,10-11,13H2.
What are the key properties of 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole?
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole has a molecular weight of 326.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole is sourced from PubChem (CID 110711055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).