2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

C21H16F4N2O3S — CID 1252073

IUPAC2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H16F4N2O3S/c22-15-10-12-17(13-11-15)31(29,30)27(16-6-2-1-3-7-16)14-20(28)26-19-9-5-4-8-18(19)21(23,24)25/h1-13H,14H2,(H,26,28)
InChIKeyOWXIRQZBODHXLO-UHFFFAOYSA-N
MW452.43 g/mol
LogP4.68
Rot. Bonds6

About 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1252073) has the molecular formula C21H16F4N2O3S and a molecular weight of 452.43 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1252073
Molecular FormulaC21H16F4N2O3S
Molecular Weight452.43 g/mol
Exact Mass452.08
IUPAC Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H16F4N2O3S/c22-15-10-12-17(13-11-15)31(29,30)27(16-6-2-1-3-7-16)14-20(28)26-19-9-5-4-8-18(19)21(23,24)25/h1-13H,14H2,(H,26,28)
InChIKeyOWXIRQZBODHXLO-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1339403
N-(2-chlorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 3958510
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280099
N-(2,6-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2223913
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-phenylphenyl)acetamide
CID 1314109
N-butyl-2-[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301813
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
N-(2,6-dimethylphenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289243
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 126190899

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1252073) is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OWXIRQZBODHXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O3S/c22-15-10-12-17(13-11-15)31(29,30)27(16-6-2-1-3-7-16)14-20(28)26-19-9-5-4-8-18(19)21(23,24)25/h1-13H,14H2,(H,26,28).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 452.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1252073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).