2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride

C15H10Cl5NO3S — CID 50892634

IUPAC2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride
SMILESCC(C(=O)Cl)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl5NO3S/c1-8(15(20)22)21(14-6-9(16)2-4-12(14)18)25(23,24)10-3-5-11(17)13(19)7-10/h2-8H,1H3
InChIKeyCYFBJVMYASXKNP-UHFFFAOYSA-N
MW461.58 g/mol
LogP5.65
Rot. Bonds5

About 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride

2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride (PubChem CID 50892634) has the molecular formula C15H10Cl5NO3S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride.

Molecular Properties

Compound Name2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride
PubChem CID50892634
Molecular FormulaC15H10Cl5NO3S
Molecular Weight461.58 g/mol
Exact Mass458.88
IUPAC Name2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride
SMILESCC(C(=O)Cl)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl5NO3S/c1-8(15(20)22)21(14-6-9(16)2-4-12(14)18)25(23,24)10-3-5-11(17)13(19)7-10/h2-8H,1H3
InChIKeyCYFBJVMYASXKNP-UHFFFAOYSA-N
XLogP5.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.58
LogP ≤ 55.65
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-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride
CID 50890031
2-(N-(3,4-dichlorophenyl)sulfonyl-3-fluoroanilino)propanoyl chloride
CID 50890421
2-(2-chloro-N-(4-fluorophenyl)sulfonyl-5-nitroanilino)propanoyl chloride
CID 50894161
2-(2,4,5-trichloro-N-(4-chlorophenyl)sulfonylanilino)propanoic acid
CID 50895404
2-(N-(4-acetamidophenyl)sulfonyl-2-chloroanilino)propanoyl chloride
CID 50889097
3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892625
2-(N-(2,5-dichlorophenyl)sulfonyl-2-ethoxyanilino)propanoyl chloride
CID 50893382
2-(N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50889608
(5R)-5-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)-3-sulfanylhexanoic acid
CID 87985860
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
4-chloro-N-(2,5-dichlorophenyl)-N-(5-ethylsulfonylpentan-2-yl)benzenesulfonamide
CID 22275618

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride?
The IUPAC name of 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride (CID 50892634) is 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride.
What is the SMILES notation for 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride?
The canonical SMILES for 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride is CC(C(=O)Cl)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride?
The InChIKey is CYFBJVMYASXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl5NO3S/c1-8(15(20)22)21(14-6-9(16)2-4-12(14)18)25(23,24)10-3-5-11(17)13(19)7-10/h2-8H,1H3.
What are the key properties of 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride?
2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride has a molecular weight of 461.58 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride is sourced from PubChem (CID 50892634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).