3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide

C16H16F2N2O3S — CID 113143477

IUPAC3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H16F2N2O3S/c1-24(22,23)20(15-5-3-2-4-14(15)18)11-10-16(21)19-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyWEFACSAHLFSEKI-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.76
Rot. Bonds6

About 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide

3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 113143477) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
PubChem CID113143477
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H16F2N2O3S/c1-24(22,23)20(15-5-3-2-4-14(15)18)11-10-16(21)19-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyWEFACSAHLFSEKI-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144019
N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 113143498
N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287763
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797
3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143714
N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141712
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide (CID 113143477) is 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is WEFACSAHLFSEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-24(22,23)20(15-5-3-2-4-14(15)18)11-10-16(21)19-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide has a molecular weight of 354.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113143477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).