5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride

C10H11ClFNO4S — CID 82910105

IUPAC5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
SMILESCNC(=O)CCOc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO4S/c1-13-10(14)4-5-17-8-3-2-7(12)6-9(8)18(11,15)16/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyHQEWNGLZYYPDKC-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.27
Rot. Bonds5

About 5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride

5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride (PubChem CID 82910105) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is 5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
PubChem CID82910105
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
SMILESCNC(=O)CCOc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO4S/c1-13-10(14)4-5-17-8-3-2-7(12)6-9(8)18(11,15)16/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyHQEWNGLZYYPDKC-UHFFFAOYSA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride (CID 82910105) is 5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride is CNC(=O)CCOc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride?
The InChIKey is HQEWNGLZYYPDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c1-13-10(14)4-5-17-8-3-2-7(12)6-9(8)18(11,15)16/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride?
5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride has a molecular weight of 295.72 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82910105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).