2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride

C10H11ClFNO4S — CID 82909516

IUPAC2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride
SMILESCCNC(=O)COc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO4S/c1-2-13-10(14)6-17-8-4-3-7(12)5-9(8)18(11,15)16/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyRQUMISQXAOJWON-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride

2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride (PubChem CID 82909516) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride
PubChem CID82909516
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride
SMILESCCNC(=O)COc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO4S/c1-2-13-10(14)6-17-8-4-3-7(12)5-9(8)18(11,15)16/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyRQUMISQXAOJWON-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

Analyze 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride (CID 82909516) is 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride is CCNC(=O)COc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride?
The InChIKey is RQUMISQXAOJWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c1-2-13-10(14)6-17-8-4-3-7(12)5-9(8)18(11,15)16/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride?
2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl 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 2-[2-(ethylamino)-2-oxoethoxy]-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 82909516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).