3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C14H15FN2O6S — CID 121022601

IUPAC3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C14H15FN2O6S/c1-22-11-3-2-10(15)4-12(11)24(20,21)16-5-9(6-16)7-17-13(18)8-23-14(17)19/h2-4,9H,5-8H2,1H3
InChIKeySLXFWNLYVNTXHE-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.43
Rot. Bonds5

About 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 121022601) has the molecular formula C14H15FN2O6S and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID121022601
Molecular FormulaC14H15FN2O6S
Molecular Weight358.35 g/mol
Exact Mass358.06
IUPAC Name3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C14H15FN2O6S/c1-22-11-3-2-10(15)4-12(11)24(20,21)16-5-9(6-16)7-17-13(18)8-23-14(17)19/h2-4,9H,5-8H2,1H3
InChIKeySLXFWNLYVNTXHE-UHFFFAOYSA-N
XLogP0.43
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122275169
3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122275128
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901
3-benzyl-5-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121093257
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine
CID 122249748
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 17018176
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264
5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide
CID 119105417
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 121022601) is 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is COc1ccc(F)cc1S(=O)(=O)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is SLXFWNLYVNTXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O6S/c1-22-11-3-2-10(15)4-12(11)24(20,21)16-5-9(6-16)7-17-13(18)8-23-14(17)19/h2-4,9H,5-8H2,1H3.
What are the key properties of 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 358.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121022601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).