2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride

C16H14Cl3NO3S — CID 50890031

IUPAC2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride
SMILESCc1ccccc1N(C(C)C(=O)Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NO3S/c1-10-5-3-4-6-15(10)20(11(2)16(19)21)24(22,23)12-7-8-13(17)14(18)9-12/h3-9,11H,1-2H3
InChIKeyKEXKMCKTDCRPLW-UHFFFAOYSA-N
MW406.72 g/mol
LogP4.65
Rot. Bonds5

About 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride

2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride (PubChem CID 50890031) has the molecular formula C16H14Cl3NO3S and a molecular weight of 406.72 g/mol. Its IUPAC name is 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride.

Molecular Properties

Compound Name2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride
PubChem CID50890031
Molecular FormulaC16H14Cl3NO3S
Molecular Weight406.72 g/mol
Exact Mass404.98
IUPAC Name2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride
SMILESCc1ccccc1N(C(C)C(=O)Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NO3S/c1-10-5-3-4-6-15(10)20(11(2)16(19)21)24(22,23)12-7-8-13(17)14(18)9-12/h3-9,11H,1-2H3
InChIKeyKEXKMCKTDCRPLW-UHFFFAOYSA-N
XLogP4.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.72
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dichloro-N-(3,4-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50892634
2-(2-methyl-N-(3-nitrophenyl)sulfonylanilino)propanoyl chloride
CID 50889929
2-(N-(3,4-dichlorophenyl)sulfonyl-3-fluoroanilino)propanoyl chloride
CID 50890421
2-(N-(4-acetamidophenyl)sulfonyl-2-chloroanilino)propanoyl chloride
CID 50889097
2-(2-methyl-N-(2-nitrophenyl)sulfonylanilino)propanoyl chloride
CID 50890028
2-(4-chloro-N-(3,4-dichlorophenyl)sulfonyl-3-methylanilino)propanoic acid
CID 50895432
2-(N-(4-bromophenyl)sulfonyl-2-methyl-4-nitroanilino)propanoyl chloride
CID 50895034
2-(2-chloro-N-(4-fluorophenyl)sulfonyl-5-nitroanilino)propanoyl chloride
CID 50894161
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride
CID 50891492
2-(2,4,5-trichloro-N-(4-chlorophenyl)sulfonylanilino)propanoic acid
CID 50895404
2-(N-(3,4-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoic acid
CID 50890633
2-(N-(3,4-dichlorophenyl)sulfonyl-2-iodoanilino)acetyl chloride
CID 50891231

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride?
The IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride (CID 50890031) is 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride.
What is the SMILES notation for 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride?
The canonical SMILES for 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride is Cc1ccccc1N(C(C)C(=O)Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride?
The InChIKey is KEXKMCKTDCRPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO3S/c1-10-5-3-4-6-15(10)20(11(2)16(19)21)24(22,23)12-7-8-13(17)14(18)9-12/h3-9,11H,1-2H3.
What are the key properties of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride?
2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride has a molecular weight of 406.72 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride is sourced from PubChem (CID 50890031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).