2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride

C15H11Cl4NO3S — CID 50895573

IUPAC2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
SMILESCc1cc(N(CC(=O)Cl)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C15H11Cl4NO3S/c1-9-6-11(3-5-12(9)17)20(8-15(19)21)24(22,23)14-7-10(16)2-4-13(14)18/h2-7H,8H2,1H3
InChIKeyWVBOJXZJXSGWTM-UHFFFAOYSA-N
MW427.14 g/mol
LogP4.92
Rot. Bonds5

About 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride

2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride (PubChem CID 50895573) has the molecular formula C15H11Cl4NO3S and a molecular weight of 427.14 g/mol. Its IUPAC name is 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride.

Molecular Properties

Compound Name2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
PubChem CID50895573
Molecular FormulaC15H11Cl4NO3S
Molecular Weight427.14 g/mol
Exact Mass424.92
IUPAC Name2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
SMILESCc1cc(N(CC(=O)Cl)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C15H11Cl4NO3S/c1-9-6-11(3-5-12(9)17)20(8-15(19)21)24(22,23)14-7-10(16)2-4-13(14)18/h2-7H,8H2,1H3
InChIKeyWVBOJXZJXSGWTM-UHFFFAOYSA-N
XLogP4.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.14
LogP ≤ 54.92
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

ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
CID 50890453
2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892681
ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894659
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 50889999
2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
CID 50893916
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
CID 50894987
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655
2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride?
The IUPAC name of 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride (CID 50895573) is 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride.
What is the SMILES notation for 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride?
The canonical SMILES for 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride is Cc1cc(N(CC(=O)Cl)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl.
What is the InChIKey of 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride?
The InChIKey is WVBOJXZJXSGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NO3S/c1-9-6-11(3-5-12(9)17)20(8-15(19)21)24(22,23)14-7-10(16)2-4-13(14)18/h2-7H,8H2,1H3.
What are the key properties of 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride?
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride has a molecular weight of 427.14 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride is sourced from PubChem (CID 50895573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).