4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid

C11H13FN2O5S — CID 79187428

IUPAC4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid
SMILESCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H13FN2O5S/c1-2-13-10(15)6-14-20(18,19)9-4-3-7(11(16)17)5-8(9)12/h3-5,14H,2,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyWYTDAUSLDXNWSO-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.06
Rot. Bonds6

About 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid

4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid (PubChem CID 79187428) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid
PubChem CID79187428
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid
SMILESCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H13FN2O5S/c1-2-13-10(15)6-14-20(18,19)9-4-3-7(11(16)17)5-8(9)12/h3-5,14H,2,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyWYTDAUSLDXNWSO-UHFFFAOYSA-N
XLogP-0.06
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-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 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid?
The IUPAC name of 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid (CID 79187428) is 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid is CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid?
The InChIKey is WYTDAUSLDXNWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c1-2-13-10(15)6-14-20(18,19)9-4-3-7(11(16)17)5-8(9)12/h3-5,14H,2,6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid?
4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid has a molecular weight of 304.30 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-3-fluorobenzoic acid is sourced from PubChem (CID 79187428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).