5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride

C10H9ClFNO5S — CID 82909693

IUPAC5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride
SMILESO=C1NCC(COc2ccc(F)cc2S(=O)(=O)Cl)O1
InChIInChI=1S/C10H9ClFNO5S/c11-19(15,16)9-3-6(12)1-2-8(9)17-5-7-4-13-10(14)18-7/h1-3,7H,4-5H2,(H,13,14)
InChIKeySMXSYJWBQVVAIQ-UHFFFAOYSA-N
MW309.70 g/mol
LogP1.24
Rot. Bonds4

About 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride

5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82909693) has the molecular formula C10H9ClFNO5S and a molecular weight of 309.70 g/mol. Its IUPAC name is 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride
PubChem CID82909693
Molecular FormulaC10H9ClFNO5S
Molecular Weight309.70 g/mol
Exact Mass308.99
IUPAC Name5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride
SMILESO=C1NCC(COc2ccc(F)cc2S(=O)(=O)Cl)O1
InChIInChI=1S/C10H9ClFNO5S/c11-19(15,16)9-3-6(12)1-2-8(9)17-5-7-4-13-10(14)18-7/h1-3,7H,4-5H2,(H,13,14)
InChIKeySMXSYJWBQVVAIQ-UHFFFAOYSA-N
XLogP1.24
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Phenoxymethyl)-1,3-oxazolidin-2-one
CID 15717141
5-[(3-Fluorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496490
5-[(4-Fluorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 60666697
5-[(2-Fluorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 60666729
5-Fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
CID 62103868
5-Fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62104427
2-[2-(Ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride
CID 82909516
5-Fluoro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82909610
2-[2-(Butan-2-ylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride
CID 82909611
5-Fluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82909695
5-Fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82909761
2-[1-(Ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride
CID 82909937

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride (CID 82909693) is 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride is O=C1NCC(COc2ccc(F)cc2S(=O)(=O)Cl)O1.
What is the InChIKey of 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is SMXSYJWBQVVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO5S/c11-19(15,16)9-3-6(12)1-2-8(9)17-5-7-4-13-10(14)18-7/h1-3,7H,4-5H2,(H,13,14).
What are the key properties of 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride?
5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 309.70 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82909693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).