2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid

C15H11Cl4NO4S — CID 50892237

IUPAC2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
SMILESCC(C(=O)O)N(c1cccc(Cl)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl4NO4S/c1-8(15(21)22)20(12-4-2-3-11(18)14(12)19)25(23,24)13-7-9(16)5-6-10(13)17/h2-8H,1H3,(H,21,22)
InChIKeyLDVZRUQSWFBYKO-UHFFFAOYSA-N
MW443.14 g/mol
LogP4.97
Rot. Bonds5

About 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid

2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid (PubChem CID 50892237) has the molecular formula C15H11Cl4NO4S and a molecular weight of 443.14 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid.

Molecular Properties

Compound Name2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
PubChem CID50892237
Molecular FormulaC15H11Cl4NO4S
Molecular Weight443.14 g/mol
Exact Mass440.92
IUPAC Name2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
SMILESCC(C(=O)O)N(c1cccc(Cl)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl4NO4S/c1-8(15(21)22)20(12-4-2-3-11(18)14(12)19)25(23,24)13-7-9(16)5-6-10(13)17/h2-8H,1H3,(H,21,22)
InChIKeyLDVZRUQSWFBYKO-UHFFFAOYSA-N
XLogP4.97
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.14
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50890896
2-(N-(4-bromophenyl)sulfonyl-2,3-dichloroanilino)propanoic acid
CID 50892386
2-(4-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50890833
2-(N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50889608
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228
2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride
CID 50893382
2-(2,4,5-trichloro-N-(4-chlorophenyl)sulfonylanilino)propanoic acid
CID 50895404
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 100509278
2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
CID 50894753
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)propanoyl chloride
CID 50895016
2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride
CID 50890674
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
CID 7393703

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid?
The IUPAC name of 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid (CID 50892237) is 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid.
What is the SMILES notation for 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid?
The canonical SMILES for 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid is CC(C(=O)O)N(c1cccc(Cl)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid?
The InChIKey is LDVZRUQSWFBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NO4S/c1-8(15(21)22)20(12-4-2-3-11(18)14(12)19)25(23,24)13-7-9(16)5-6-10(13)17/h2-8H,1H3,(H,21,22).
What are the key properties of 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid?
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid has a molecular weight of 443.14 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid is sourced from PubChem (CID 50892237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).