(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide

C16H15F3N2O3S — CID 99131905

IUPAC(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(F)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-10(16(22)20-12-5-3-4-11(17)8-12)21(25(2,23)24)13-6-7-14(18)15(19)9-13/h3-10H,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyWDTZBQMDJOVVCU-JTQLQIEISA-N
MW372.37 g/mol
LogP2.90
Rot. Bonds5

About (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide

(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide (PubChem CID 99131905) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
PubChem CID99131905
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(F)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-10(16(22)20-12-5-3-4-11(17)8-12)21(25(2,23)24)13-6-7-14(18)15(19)9-13/h3-10H,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyWDTZBQMDJOVVCU-JTQLQIEISA-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

2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
3-[2-(3,4-difluoro-N-methylsulfonylanilino)propanoylamino]benzamide
CID 53288438
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 99131979
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132661875
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
methyl 3-[[(2S)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 99132598
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662529

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide (CID 99131905) is (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide is C[C@@H](C(=O)Nc1cccc(F)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide?
The InChIKey is WDTZBQMDJOVVCU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-10(16(22)20-12-5-3-4-11(17)8-12)21(25(2,23)24)13-6-7-14(18)15(19)9-13/h3-10H,1-2H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide?
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)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 (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 99131905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).