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

C14H8Cl5NO3S — CID 50892681

IUPAC2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
SMILESO=C(Cl)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl5NO3S/c15-8-2-4-12(11(18)5-8)20(7-14(19)21)24(22,23)13-6-9(16)1-3-10(13)17/h1-6H,7H2
InChIKeyVZWVDVDLDPGCTB-UHFFFAOYSA-N
MW447.55 g/mol
LogP5.26
Rot. Bonds5

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

2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride (PubChem CID 50892681) has the molecular formula C14H8Cl5NO3S and a molecular weight of 447.55 g/mol. Its IUPAC name is 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride.

Molecular Properties

Compound Name2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
PubChem CID50892681
Molecular FormulaC14H8Cl5NO3S
Molecular Weight447.55 g/mol
Exact Mass444.87
IUPAC Name2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
SMILESO=C(Cl)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl5NO3S/c15-8-2-4-12(11(18)5-8)20(7-14(19)21)24(22,23)13-6-9(16)1-3-10(13)17/h1-6H,7H2
InChIKeyVZWVDVDLDPGCTB-UHFFFAOYSA-N
XLogP5.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl 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-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228
methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50892663
2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
CID 50893916
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
CID 50894987
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
CID 50890453
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
4-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)butanoic acid
CID 50892700
2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid
CID 50893609
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride?
The IUPAC name of 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride (CID 50892681) is 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride.
What is the SMILES notation for 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride?
The canonical SMILES for 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride is O=C(Cl)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride?
The InChIKey is VZWVDVDLDPGCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl5NO3S/c15-8-2-4-12(11(18)5-8)20(7-14(19)21)24(22,23)13-6-9(16)1-3-10(13)17/h1-6H,7H2.
What are the key properties of 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride?
2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride has a molecular weight of 447.55 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride is sourced from PubChem (CID 50892681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).