5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid

C11H12FNO5S — CID 43140860

IUPAC5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid
SMILESCCNC(=O)CS(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C11H12FNO5S/c1-2-13-10(14)6-19(17,18)7-3-4-9(12)8(5-7)11(15)16/h3-5H,2,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyHUOIDUDPJCQIOK-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.43
Rot. Bonds5

About 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid

5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid (PubChem CID 43140860) has the molecular formula C11H12FNO5S and a molecular weight of 289.28 g/mol. Its IUPAC name is 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid
PubChem CID43140860
Molecular FormulaC11H12FNO5S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC Name5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid
SMILESCCNC(=O)CS(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C11H12FNO5S/c1-2-13-10(14)6-19(17,18)7-3-4-9(12)8(5-7)11(15)16/h3-5H,2,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyHUOIDUDPJCQIOK-UHFFFAOYSA-N
XLogP0.43
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid 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 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid?
The IUPAC name of 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid (CID 43140860) is 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid.
What is the SMILES notation for 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid?
The canonical SMILES for 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid is CCNC(=O)CS(=O)(=O)c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid?
The InChIKey is HUOIDUDPJCQIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO5S/c1-2-13-10(14)6-19(17,18)7-3-4-9(12)8(5-7)11(15)16/h3-5H,2,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid?
5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid has a molecular weight of 289.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-fluorobenzoic acid is sourced from PubChem (CID 43140860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).