[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone

C17H16FNO4S — CID 71809193

IUPAC[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H16FNO4S/c1-23-16-5-3-2-4-15(16)17(20)19-10-14(11-19)24(21,22)13-8-6-12(18)7-9-13/h2-9,14H,10-11H2,1H3
InChIKeyLUDGSPPYPHZWOC-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.13
Rot. Bonds4

About [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone

[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 71809193) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID71809193
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Name[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H16FNO4S/c1-23-16-5-3-2-4-15(16)17(20)19-10-14(11-19)24(21,22)13-8-6-12(18)7-9-13/h2-9,14H,10-11H2,1H3
InChIKeyLUDGSPPYPHZWOC-UHFFFAOYSA-N
XLogP2.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone (CID 71809193) is [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is LUDGSPPYPHZWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S/c1-23-16-5-3-2-4-15(16)17(20)19-10-14(11-19)24(21,22)13-8-6-12(18)7-9-13/h2-9,14H,10-11H2,1H3.
What are the key properties of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone?
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 349.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 71809193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).