2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride

C15H11Cl3FNO3S — CID 50890674

IUPAC2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride
SMILESCC(C(=O)Cl)N(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3FNO3S/c1-9(15(18)21)20(12-5-3-11(19)4-6-12)24(22,23)14-8-10(16)2-7-13(14)17/h2-9H,1H3
InChIKeyYZOSDRXDDGKVPT-UHFFFAOYSA-N
MW410.68 g/mol
LogP4.48
Rot. Bonds5

About 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride

2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride (PubChem CID 50890674) has the molecular formula C15H11Cl3FNO3S and a molecular weight of 410.68 g/mol. Its IUPAC name is 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride.

Molecular Properties

Compound Name2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride
PubChem CID50890674
Molecular FormulaC15H11Cl3FNO3S
Molecular Weight410.68 g/mol
Exact Mass408.95
IUPAC Name2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride
SMILESCC(C(=O)Cl)N(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3FNO3S/c1-9(15(18)21)20(12-5-3-11(19)4-6-12)24(22,23)14-8-10(16)2-7-13(14)17/h2-9H,1H3
InChIKeyYZOSDRXDDGKVPT-UHFFFAOYSA-N
XLogP4.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.68
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50890833
2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide
CID 143399663
2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride
CID 50893382
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)propanoyl chloride
CID 50895016
2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890267
2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid
CID 50890633
2-(N-(3,4-dichlorophenyl)sulfonyl-3-fluoroanilino)propanoyl chloride
CID 50890421
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280
2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50892634
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
CID 50890453
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50892237

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride?
The IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride (CID 50890674) is 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride.
What is the SMILES notation for 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride?
The canonical SMILES for 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride is CC(C(=O)Cl)N(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride?
The InChIKey is YZOSDRXDDGKVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3FNO3S/c1-9(15(18)21)20(12-5-3-11(19)4-6-12)24(22,23)14-8-10(16)2-7-13(14)17/h2-9H,1H3.
What are the key properties of 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride?
2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride has a molecular weight of 410.68 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride is sourced from PubChem (CID 50890674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).