5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride

C11H11ClFNO4S — CID 82910511

IUPAC5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride
SMILESCN1CCC(Oc2ccc(F)cc2S(=O)(=O)Cl)C1=O
InChIInChI=1S/C11H11ClFNO4S/c1-14-5-4-9(11(14)15)18-8-3-2-7(13)6-10(8)19(12,16)17/h2-3,6,9H,4-5H2,1H3
InChIKeyVIMHUQKUDNMDNL-UHFFFAOYSA-N
MW307.73 g/mol
LogP1.36
Rot. Bonds3

About 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride

5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride (PubChem CID 82910511) has the molecular formula C11H11ClFNO4S and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride
PubChem CID82910511
Molecular FormulaC11H11ClFNO4S
Molecular Weight307.73 g/mol
Exact Mass307.01
IUPAC Name5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride
SMILESCN1CCC(Oc2ccc(F)cc2S(=O)(=O)Cl)C1=O
InChIInChI=1S/C11H11ClFNO4S/c1-14-5-4-9(11(14)15)18-8-3-2-7(13)6-10(8)19(12,16)17/h2-3,6,9H,4-5H2,1H3
InChIKeyVIMHUQKUDNMDNL-UHFFFAOYSA-N
XLogP1.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride (CID 82910511) is 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride is CN1CCC(Oc2ccc(F)cc2S(=O)(=O)Cl)C1=O.
What is the InChIKey of 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride?
The InChIKey is VIMHUQKUDNMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4S/c1-14-5-4-9(11(14)15)18-8-3-2-7(13)6-10(8)19(12,16)17/h2-3,6,9H,4-5H2,1H3.
What are the key properties of 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride?
5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride has a molecular weight of 307.73 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride is sourced from PubChem (CID 82910511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).