N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide

C16H15F3N2O3S — CID 53285822

IUPACN-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-10(16(22)20-14-8-7-11(17)9-13(14)19)21(25(2,23)24)15-6-4-3-5-12(15)18/h3-10H,1-2H3,(H,20,22)
InChIKeyHGUFUQWQJZLZRM-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.90
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide

N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 53285822) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID53285822
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-10(16(22)20-14-8-7-11(17)9-13(14)19)21(25(2,23)24)15-6-4-3-5-12(15)18/h3-10H,1-2H3,(H,20,22)
InChIKeyHGUFUQWQJZLZRM-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99132038
(2R)-N-(2,4-difluorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 126415815
(2R)-N-(2,4-difluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2239790
N-(2,4-difluorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2927652
(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131742
N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132666776
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 99131849
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 132672856
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285843
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132671344
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166753

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide (CID 53285822) is N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide is CC(C(=O)Nc1ccc(F)cc1F)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is HGUFUQWQJZLZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-10(16(22)20-14-8-7-11(17)9-13(14)19)21(25(2,23)24)15-6-4-3-5-12(15)18/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 372.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 53285822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).