2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride

C15H12Cl3NO3S — CID 50892343

IUPAC2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Cl)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl3NO3S/c1-10-5-7-11(8-6-10)23(21,22)19(9-14(17)20)13-4-2-3-12(16)15(13)18/h2-8H,9H2,1H3
InChIKeyGLLJRMDYCCNRMI-UHFFFAOYSA-N
MW392.69 g/mol
LogP4.26
Rot. Bonds5

About 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride

2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride (PubChem CID 50892343) has the molecular formula C15H12Cl3NO3S and a molecular weight of 392.69 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride.

Molecular Properties

Compound Name2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
PubChem CID50892343
Molecular FormulaC15H12Cl3NO3S
Molecular Weight392.69 g/mol
Exact Mass390.96
IUPAC Name2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Cl)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl3NO3S/c1-10-5-7-11(8-6-10)23(21,22)19(9-14(17)20)13-4-2-3-12(16)15(13)18/h2-8H,9H2,1H3
InChIKeyGLLJRMDYCCNRMI-UHFFFAOYSA-N
XLogP4.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.69
LogP ≤ 54.26
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-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2228989
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 3598869
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2223839
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
CID 50895334
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2232287
2-(N-(4-methylphenyl)sulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893671
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 126412342
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 4694822
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride?
The IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride (CID 50892343) is 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride.
What is the SMILES notation for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride?
The canonical SMILES for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride is Cc1ccc(S(=O)(=O)N(CC(=O)Cl)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride?
The InChIKey is GLLJRMDYCCNRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO3S/c1-10-5-7-11(8-6-10)23(21,22)19(9-14(17)20)13-4-2-3-12(16)15(13)18/h2-8H,9H2,1H3.
What are the key properties of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride?
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride has a molecular weight of 392.69 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride is sourced from PubChem (CID 50892343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).