[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone

C18H19NO4S — CID 71808979

IUPAC[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C18H19NO4S/c20-18(13-8-9-23-12-13)19-14-6-7-15(19)11-17(10-14)24(21,22)16-4-2-1-3-5-16/h1-5,8-9,12,14-15,17H,6-7,10-11H2
InChIKeyZGXGZDUXSKZUGI-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.89
Rot. Bonds3

About [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone

[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone (PubChem CID 71808979) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone
PubChem CID71808979
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C18H19NO4S/c20-18(13-8-9-23-12-13)19-14-6-7-15(19)11-17(10-14)24(21,22)16-4-2-1-3-5-16/h1-5,8-9,12,14-15,17H,6-7,10-11H2
InChIKeyZGXGZDUXSKZUGI-UHFFFAOYSA-N
XLogP2.89
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone (CID 71808979) is [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone?
The InChIKey is ZGXGZDUXSKZUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(13-8-9-23-12-13)19-14-6-7-15(19)11-17(10-14)24(21,22)16-4-2-1-3-5-16/h1-5,8-9,12,14-15,17H,6-7,10-11H2.
What are the key properties of [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone?
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone has a molecular weight of 345.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 71808979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).