2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide

C16H16FN3O4S — CID 50889099

IUPAC2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O4S/c1-11(21)19-13-4-8-15(9-5-13)25(23,24)20(10-16(18)22)14-6-2-12(17)3-7-14/h2-9H,10H2,1H3,(H2,18,22)(H,19,21)
InChIKeyTVEPTOKNNVHOTC-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.46
Rot. Bonds6

About 2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide

2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide (PubChem CID 50889099) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide
PubChem CID50889099
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC Name2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O4S/c1-11(21)19-13-4-8-15(9-5-13)25(23,24)20(10-16(18)22)14-6-2-12(17)3-7-14/h2-9H,10H2,1H3,(H2,18,22)(H,19,21)
InChIKeyTVEPTOKNNVHOTC-UHFFFAOYSA-N
XLogP1.46
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-acetamidophenyl)sulfonyl-4-ethylanilino)acetamide
CID 50889396
2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50890571
2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide
CID 50889711
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 50889320
N-(4-bromophenyl)-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30259314
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
ethyl 4-[[2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30260388
N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889129
2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
CID 50889182
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide (CID 50889099) is 2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide?
The InChIKey is TVEPTOKNNVHOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c1-11(21)19-13-4-8-15(9-5-13)25(23,24)20(10-16(18)22)14-6-2-12(17)3-7-14/h2-9H,10H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide?
2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide has a molecular weight of 365.39 g/mol, XLogP of 1.46, 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-4-fluoroanilino)acetamide is sourced from PubChem (CID 50889099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).