2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride

C14H9Cl3FNO3S — CID 50890453

IUPAC2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
SMILESO=C(Cl)CN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3FNO3S/c15-9-4-5-12(16)13(6-9)23(21,22)19(8-14(17)20)11-3-1-2-10(18)7-11/h1-7H,8H2
InChIKeyBJXWYDSWJGSBIG-UHFFFAOYSA-N
MW396.65 g/mol
LogP4.09
Rot. Bonds5

About 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride

2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride (PubChem CID 50890453) has the molecular formula C14H9Cl3FNO3S and a molecular weight of 396.65 g/mol. Its IUPAC name is 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride.

Molecular Properties

Compound Name2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
PubChem CID50890453
Molecular FormulaC14H9Cl3FNO3S
Molecular Weight396.65 g/mol
Exact Mass394.94
IUPAC Name2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
SMILESO=C(Cl)CN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3FNO3S/c15-9-4-5-12(16)13(6-9)23(21,22)19(8-14(17)20)11-3-1-2-10(18)7-11/h1-7H,8H2
InChIKeyBJXWYDSWJGSBIG-UHFFFAOYSA-N
XLogP4.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.65
LogP ≤ 54.09
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-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892681
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280
2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
CID 50893916
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 50889999
2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 50889602
2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
CID 50890513
5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894659
ethyl 2-[N-(2,5-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893125
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
CID 50894987

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride?
The IUPAC name of 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride (CID 50890453) is 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride.
What is the SMILES notation for 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride?
The canonical SMILES for 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride is O=C(Cl)CN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride?
The InChIKey is BJXWYDSWJGSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3FNO3S/c15-9-4-5-12(16)13(6-9)23(21,22)19(8-14(17)20)11-3-1-2-10(18)7-11/h1-7H,8H2.
What are the key properties of 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride?
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride has a molecular weight of 396.65 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride is sourced from PubChem (CID 50890453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).