2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide

C17H16F3N3O4S — CID 50889320

IUPAC2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(N)=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3N3O4S/c1-11(24)22-13-5-7-15(8-6-13)28(26,27)23(10-16(21)25)14-4-2-3-12(9-14)17(18,19)20/h2-9H,10H2,1H3,(H2,21,25)(H,22,24)
InChIKeySFAVFWMNPOOWNF-UHFFFAOYSA-N
MW415.39 g/mol
LogP2.34
Rot. Bonds6

About 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide

2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 50889320) has the molecular formula C17H16F3N3O4S and a molecular weight of 415.39 g/mol. Its IUPAC name is 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID50889320
Molecular FormulaC17H16F3N3O4S
Molecular Weight415.39 g/mol
Exact Mass415.08
IUPAC Name2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(N)=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3N3O4S/c1-11(24)22-13-5-7-15(8-6-13)28(26,27)23(10-16(21)25)14-4-2-3-12(9-14)17(18,19)20/h2-9H,10H2,1H3,(H2,21,25)(H,22,24)
InChIKeySFAVFWMNPOOWNF-UHFFFAOYSA-N
XLogP2.34
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50889099
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881113
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1099952
2-(N-(4-acetamidophenyl)sulfonyl-4-ethylanilino)acetamide
CID 50889396
N-(3-fluorophenyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126032178
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880830
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride
CID 50893250
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-nitrophenyl)acetamide
CID 126034079
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509758
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 1337269
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3694123
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylphenyl)acetamide
CID 30169726

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 50889320) is 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(N)=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is SFAVFWMNPOOWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O4S/c1-11(24)22-13-5-7-15(8-6-13)28(26,27)23(10-16(21)25)14-4-2-3-12(9-14)17(18,19)20/h2-9H,10H2,1H3,(H2,21,25)(H,22,24).
What are the key properties of 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide?
2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 415.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 50889320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).