2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride

C16H14Cl3NO5S — CID 50894987

IUPAC2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
SMILESCOc1ccc(N(CC(=O)Cl)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1
InChIInChI=1S/C16H14Cl3NO5S/c1-24-11-4-6-13(14(8-11)25-2)20(9-16(19)21)26(22,23)15-7-10(17)3-5-12(15)18/h3-8H,9H2,1-2H3
InChIKeyBPOYSOIGQFXBIZ-UHFFFAOYSA-N
MW438.72 g/mol
LogP3.97
Rot. Bonds7

About 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride

2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride (PubChem CID 50894987) has the molecular formula C16H14Cl3NO5S and a molecular weight of 438.72 g/mol. Its IUPAC name is 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride.

Molecular Properties

Compound Name2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
PubChem CID50894987
Molecular FormulaC16H14Cl3NO5S
Molecular Weight438.72 g/mol
Exact Mass436.97
IUPAC Name2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
SMILESCOc1ccc(N(CC(=O)Cl)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1
InChIInChI=1S/C16H14Cl3NO5S/c1-24-11-4-6-13(14(8-11)25-2)20(9-16(19)21)26(22,23)15-7-10(17)3-5-12(15)18/h3-8H,9H2,1-2H3
InChIKeyBPOYSOIGQFXBIZ-UHFFFAOYSA-N
XLogP3.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.72
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812
2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892681
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)propanoyl chloride
CID 50895016
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 45374620
methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50892663
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228
2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
CID 50893916
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 42979737
2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide
CID 58941363
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 50893773

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride?
The IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride (CID 50894987) is 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride.
What is the SMILES notation for 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride?
The canonical SMILES for 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride is COc1ccc(N(CC(=O)Cl)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1.
What is the InChIKey of 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride?
The InChIKey is BPOYSOIGQFXBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO5S/c1-24-11-4-6-13(14(8-11)25-2)20(9-16(19)21)26(22,23)15-7-10(17)3-5-12(15)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride?
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride has a molecular weight of 438.72 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride is sourced from PubChem (CID 50894987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).