2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid

C15H12Cl2FNO4S — CID 50890633

IUPAC2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid
SMILESCC(C(=O)O)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2FNO4S/c1-9(15(20)21)19(11-4-2-10(18)3-5-11)24(22,23)12-6-7-13(16)14(17)8-12/h2-9H,1H3,(H,20,21)
InChIKeyZUANKZAHHLIWST-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.80
Rot. Bonds5

About 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid

2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid (PubChem CID 50890633) has the molecular formula C15H12Cl2FNO4S and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid
PubChem CID50890633
Molecular FormulaC15H12Cl2FNO4S
Molecular Weight392.24 g/mol
Exact Mass390.98
IUPAC Name2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid
SMILESCC(C(=O)O)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2FNO4S/c1-9(15(20)21)19(11-4-2-10(18)3-5-11)24(22,23)12-6-7-13(16)14(17)8-12/h2-9H,1H3,(H,20,21)
InChIKeyZUANKZAHHLIWST-UHFFFAOYSA-N
XLogP3.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890267
2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)propanoic acid
CID 50895674
2-(4-chloro-N-(3,4-dichlorophenyl)sulfonyl-3-methylanilino)propanoic acid
CID 50895432
2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoic acid
CID 50893228
2-(N-(3,4-dichlorophenyl)sulfonyl-3-fluoroanilino)propanoyl chloride
CID 50890421
(2R)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 7378453
5-[1-carboxyethyl-(4-methylphenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894699
2-(4-chloro-3-methyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50895535
2-(N-(4-chlorophenyl)sulfonyl-4-iodoanilino)propanoic acid
CID 50891110
2-(2,4,5-trichloro-N-(4-chlorophenyl)sulfonylanilino)propanoic acid
CID 50895404
2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride
CID 50890674
2-(2-bromo-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890457

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid?
The IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid (CID 50890633) is 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid?
The canonical SMILES for 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid is CC(C(=O)O)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid?
The InChIKey is ZUANKZAHHLIWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO4S/c1-9(15(20)21)19(11-4-2-10(18)3-5-11)24(22,23)12-6-7-13(16)14(17)8-12/h2-9H,1H3,(H,20,21).
What are the key properties of 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid?
2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid has a molecular weight of 392.24 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid is sourced from PubChem (CID 50890633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).