2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide

C16H16F2N2O3S — CID 53288513

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H16F2N2O3S/c1-11(16(21)19-14-7-3-5-12(17)9-14)20(24(2,22)23)15-8-4-6-13(18)10-15/h3-11H,1-2H3,(H,19,21)
InChIKeyXTCBOUNOLHKWCW-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.76
Rot. Bonds5

About 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide

2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide (PubChem CID 53288513) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
PubChem CID53288513
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H16F2N2O3S/c1-11(16(21)19-14-7-3-5-12(17)9-14)20(24(2,22)23)15-8-4-6-13(18)10-15/h3-11H,1-2H3,(H,19,21)
InChIKeyXTCBOUNOLHKWCW-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
methyl 3-[[(2S)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 99132598
N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662529
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583
N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 132656825
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125076618
(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991470

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide (CID 53288513) is 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide is CC(C(=O)Nc1cccc(F)c1)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide?
The InChIKey is XTCBOUNOLHKWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-11(16(21)19-14-7-3-5-12(17)9-14)20(24(2,22)23)15-8-4-6-13(18)10-15/h3-11H,1-2H3,(H,19,21).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide has a molecular weight of 354.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 53288513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).