2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride

C17H16Cl3NO4S — CID 50893382

IUPAC2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride
SMILESCCOc1ccccc1N(C(C)C(=O)Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl3NO4S/c1-3-25-15-7-5-4-6-14(15)21(11(2)17(20)22)26(23,24)16-10-12(18)8-9-13(16)19/h4-11H,3H2,1-2H3
InChIKeyHYJYMCQXWFKMKQ-UHFFFAOYSA-N
MW436.74 g/mol
LogP4.74
Rot. Bonds7

About 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride

2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride (PubChem CID 50893382) has the molecular formula C17H16Cl3NO4S and a molecular weight of 436.74 g/mol. Its IUPAC name is 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride.

Molecular Properties

Compound Name2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride
PubChem CID50893382
Molecular FormulaC17H16Cl3NO4S
Molecular Weight436.74 g/mol
Exact Mass434.99
IUPAC Name2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride
SMILESCCOc1ccccc1N(C(C)C(=O)Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl3NO4S/c1-3-25-15-7-5-4-6-14(15)21(11(2)17(20)22)26(23,24)16-10-12(18)8-9-13(16)19/h4-11H,3H2,1-2H3
InChIKeyHYJYMCQXWFKMKQ-UHFFFAOYSA-N
XLogP4.74
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.74
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-(N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50889608
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50893461
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
2-(2-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50890896
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50892237
(2-ethoxyphenyl) 2,5-dichlorobenzenesulfonate
CID 26948914
2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50892634
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92675165
N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 126133689
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 1344293

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride?
The IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride (CID 50893382) is 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride.
What is the SMILES notation for 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride?
The canonical SMILES for 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride is CCOc1ccccc1N(C(C)C(=O)Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride?
The InChIKey is HYJYMCQXWFKMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO4S/c1-3-25-15-7-5-4-6-14(15)21(11(2)17(20)22)26(23,24)16-10-12(18)8-9-13(16)19/h4-11H,3H2,1-2H3.
What are the key properties of 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride?
2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride has a molecular weight of 436.74 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride is sourced from PubChem (CID 50893382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).