2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride

C16H15ClFNO4S — CID 50891492

IUPAC2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride
SMILESCOc1ccccc1N(C(C)C(=O)Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO4S/c1-11(16(17)20)19(14-5-3-4-6-15(14)23-2)24(21,22)13-9-7-12(18)8-10-13/h3-11H,1-2H3
InChIKeyHMZFAXCELBZHLK-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.18
Rot. Bonds6

About 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride

2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride (PubChem CID 50891492) has the molecular formula C16H15ClFNO4S and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride
PubChem CID50891492
Molecular FormulaC16H15ClFNO4S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride
SMILESCOc1ccccc1N(C(C)C(=O)Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO4S/c1-11(16(17)20)19(14-5-3-4-6-15(14)23-2)24(21,22)13-9-7-12(18)8-10-13/h3-11H,1-2H3
InChIKeyHMZFAXCELBZHLK-UHFFFAOYSA-N
XLogP3.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50893461
2-(2-bromo-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890457
2-(2-chloro-N-(4-fluorophenyl)sulfonyl-5-nitroanilino)propanoyl chloride
CID 50894161
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 2565728
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoyl chloride
CID 50893138
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78839418
2-(N-(4-acetamidophenyl)sulfonyl-2-chloroanilino)propanoyl chloride
CID 50889097
N-(2-chloro-4-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 52891332
N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 30232771
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669
2-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)propanoyl chloride
CID 50890031
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide
CID 30232749

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride (CID 50891492) is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride is COc1ccccc1N(C(C)C(=O)Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride?
The InChIKey is HMZFAXCELBZHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4S/c1-11(16(17)20)19(14-5-3-4-6-15(14)23-2)24(21,22)13-9-7-12(18)8-10-13/h3-11H,1-2H3.
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride?
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride has a molecular weight of 371.82 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)propanoyl chloride is sourced from PubChem (CID 50891492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).