2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid

C15H13ClFNO4S — CID 50890267

IUPAC2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
SMILESCC(C(=O)O)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO4S/c1-10(15(19)20)18(13-6-2-11(16)3-7-13)23(21,22)14-8-4-12(17)5-9-14/h2-10H,1H3,(H,19,20)
InChIKeyBGZAQOOQIBRUPC-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.15
Rot. Bonds5

About 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid

2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid (PubChem CID 50890267) has the molecular formula C15H13ClFNO4S and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid.

Molecular Properties

Compound Name2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
PubChem CID50890267
Molecular FormulaC15H13ClFNO4S
Molecular Weight357.79 g/mol
Exact Mass357.02
IUPAC Name2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
SMILESCC(C(=O)O)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO4S/c1-10(15(19)20)18(13-6-2-11(16)3-7-13)23(21,22)14-8-4-12(17)5-9-14/h2-10H,1H3,(H,19,20)
InChIKeyBGZAQOOQIBRUPC-UHFFFAOYSA-N
XLogP3.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-4-iodoanilino)propanoic acid
CID 50891110
2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid
CID 50890633
2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)propanoic acid
CID 50895674
2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid
CID 50894055
2-(4-chloro-N-ethylsulfonylanilino)propanoic acid
CID 50890339
2-(2,4,5-trichloro-N-(4-chlorophenyl)sulfonylanilino)propanoic acid
CID 50895404
(2R)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 7378453
4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
2-(2-bromo-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890457
2-(N-(4-chlorophenyl)sulfonyl-2,6-diethylanilino)propanoic acid
CID 50895805
2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
CID 50889552
2-(4-chloro-3-methyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50895535

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid?
The IUPAC name of 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid (CID 50890267) is 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid.
What is the SMILES notation for 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid?
The canonical SMILES for 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid is CC(C(=O)O)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid?
The InChIKey is BGZAQOOQIBRUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4S/c1-10(15(19)20)18(13-6-2-11(16)3-7-13)23(21,22)14-8-4-12(17)5-9-14/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid?
2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid has a molecular weight of 357.79 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid is sourced from PubChem (CID 50890267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).