2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride

C15H10ClF4NO3S — CID 50893250

IUPAC2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride
SMILESO=C(Cl)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10ClF4NO3S/c16-14(22)9-21(12-3-1-2-10(8-12)15(18,19)20)25(23,24)13-6-4-11(17)5-7-13/h1-8H,9H2
InChIKeyDZZXSGFRMLUIGU-UHFFFAOYSA-N
MW395.76 g/mol
LogP3.81
Rot. Bonds5

About 2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride

2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride (PubChem CID 50893250) has the molecular formula C15H10ClF4NO3S and a molecular weight of 395.76 g/mol. Its IUPAC name is 2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride.

Molecular Properties

Compound Name2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride
PubChem CID50893250
Molecular FormulaC15H10ClF4NO3S
Molecular Weight395.76 g/mol
Exact Mass395.00
IUPAC Name2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride
SMILESO=C(Cl)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10ClF4NO3S/c16-14(22)9-21(12-3-1-2-10(8-12)15(18,19)20)25(23,24)13-6-4-11(17)5-7-13/h1-8H,9H2
InChIKeyDZZXSGFRMLUIGU-UHFFFAOYSA-N
XLogP3.81
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.76
LogP ≤ 53.81
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-fluorophenyl)sulfonyl-naphthalen-2-ylamino]acetyl chloride
CID 50893858
N-(3-fluorophenyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126032178
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304561
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoyl chloride
CID 50893138
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30204334
2-[N-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
CID 100531866
2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 50889320
2-[N-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(3,4-difluorophenyl)methyl]acetamide
CID 91800779
2-(3-bromo-N-(4-bromophenyl)sulfonylanilino)acetyl chloride
CID 50890911
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide
CID 126268693
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylphenyl)acetamide
CID 30169726
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43900412

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride?
The IUPAC name of 2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride (CID 50893250) is 2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride.
What is the SMILES notation for 2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride?
The canonical SMILES for 2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride is O=C(Cl)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride?
The InChIKey is DZZXSGFRMLUIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO3S/c16-14(22)9-21(12-3-1-2-10(8-12)15(18,19)20)25(23,24)13-6-4-11(17)5-7-13/h1-8H,9H2.
What are the key properties of 2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride?
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride has a molecular weight of 395.76 g/mol, XLogP of 3.81, 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-3-(trifluoromethyl)anilino]acetyl chloride is sourced from PubChem (CID 50893250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).