2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride

C14H8Cl4FNO3S — CID 50895753

IUPAC2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride
SMILESO=C(Cl)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8Cl4FNO3S/c15-10-5-12(17)13(6-11(10)16)20(7-14(18)21)24(22,23)9-3-1-8(19)2-4-9/h1-6H,7H2
InChIKeyDAQDBFMNHCWFKK-UHFFFAOYSA-N
MW431.10 g/mol
LogP4.75
Rot. Bonds5

About 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride

2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride (PubChem CID 50895753) has the molecular formula C14H8Cl4FNO3S and a molecular weight of 431.10 g/mol. Its IUPAC name is 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride.

Molecular Properties

Compound Name2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride
PubChem CID50895753
Molecular FormulaC14H8Cl4FNO3S
Molecular Weight431.10 g/mol
Exact Mass428.90
IUPAC Name2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride
SMILESO=C(Cl)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8Cl4FNO3S/c15-10-5-12(17)13(6-11(10)16)20(7-14(18)21)24(22,23)9-3-1-8(19)2-4-9/h1-6H,7H2
InChIKeyDAQDBFMNHCWFKK-UHFFFAOYSA-N
XLogP4.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.10
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride
CID 50891718
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400
2-[(4-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride
CID 50893858
2-(N-(3,4-dichlorophenyl)sulfonyl-2-iodoanilino)acetyl chloride
CID 50891231
N-(2-chloro-5-nitrophenyl)-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50894131
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride
CID 50889349
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride
CID 50893250
2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid
CID 50892863
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
CID 50895334
methyl 2-(2-chloro-N-(4-fluorophenyl)sulfonyl-5-nitroanilino)acetate
CID 50894037

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride?
The IUPAC name of 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride (CID 50895753) is 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride.
What is the SMILES notation for 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride?
The canonical SMILES for 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride is O=C(Cl)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride?
The InChIKey is DAQDBFMNHCWFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4FNO3S/c15-10-5-12(17)13(6-11(10)16)20(7-14(18)21)24(22,23)9-3-1-8(19)2-4-9/h1-6H,7H2.
What are the key properties of 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride?
2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride has a molecular weight of 431.10 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride is sourced from PubChem (CID 50895753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).