2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride

C16H15ClFNO3S — CID 50891718

IUPAC2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride
SMILESCc1ccc(C)c(N(CC(=O)Cl)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15ClFNO3S/c1-11-3-4-12(2)15(9-11)19(10-16(17)20)23(21,22)14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3
InChIKeyJZDWXCKJGVJIHN-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.40
Rot. Bonds5

About 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride

2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride (PubChem CID 50891718) has the molecular formula C16H15ClFNO3S and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride
PubChem CID50891718
Molecular FormulaC16H15ClFNO3S
Molecular Weight355.82 g/mol
Exact Mass355.04
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride
SMILESCc1ccc(C)c(N(CC(=O)Cl)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15ClFNO3S/c1-11-3-4-12(2)15(9-11)19(10-16(17)20)23(21,22)14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3
InChIKeyJZDWXCKJGVJIHN-UHFFFAOYSA-N
XLogP3.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.40
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-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide
CID 50891717
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl chloride
CID 50891647
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride
CID 50895753
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 846688
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 53279384
(2S)-2-[[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100685393
2-[[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
CID 132688551
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30305984
2-[[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132686152
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2279264

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride (CID 50891718) is 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride is Cc1ccc(C)c(N(CC(=O)Cl)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride?
The InChIKey is JZDWXCKJGVJIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3S/c1-11-3-4-12(2)15(9-11)19(10-16(17)20)23(21,22)14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3.
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride?
2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride has a molecular weight of 355.82 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetyl chloride is sourced from PubChem (CID 50891718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).