5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride

C10H11ClFNO4S — CID 82909761

IUPAC5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
SMILESCNC(=O)C(C)Oc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO4S/c1-6(10(14)13-2)17-8-4-3-7(12)5-9(8)18(11,15)16/h3-6H,1-2H3,(H,13,14)
InChIKeyHJGFKWGVWBZKMU-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.27
Rot. Bonds4

About 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride

5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride (PubChem CID 82909761) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
PubChem CID82909761
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
SMILESCNC(=O)C(C)Oc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO4S/c1-6(10(14)13-2)17-8-4-3-7(12)5-9(8)18(11,15)16/h3-6H,1-2H3,(H,13,14)
InChIKeyHJGFKWGVWBZKMU-UHFFFAOYSA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride (CID 82909761) is 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride is CNC(=O)C(C)Oc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride?
The InChIKey is HJGFKWGVWBZKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c1-6(10(14)13-2)17-8-4-3-7(12)5-9(8)18(11,15)16/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride?
5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride has a molecular weight of 295.72 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride is sourced from PubChem (CID 82909761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).