(2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide

C17H16F4N2O3S — CID 51556179

IUPAC(2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16F4N2O3S/c1-12(16(24)22-11-17(19,20)21)23(14-9-7-13(18)8-10-14)27(25,26)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyJMCZYVBQGGPHHH-GFCCVEGCSA-N
MW404.39 g/mol
LogP3.09
Rot. Bonds6

About (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 51556179) has the molecular formula C17H16F4N2O3S and a molecular weight of 404.39 g/mol. Its IUPAC name is (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID51556179
Molecular FormulaC17H16F4N2O3S
Molecular Weight404.39 g/mol
Exact Mass404.08
IUPAC Name(2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16F4N2O3S/c1-12(16(24)22-11-17(19,20)21)23(14-9-7-13(18)8-10-14)27(25,26)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyJMCZYVBQGGPHHH-GFCCVEGCSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890267
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 124561221
N-propan-2-yl-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 12000645
2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-benzylamino]-N-propylpropanamide
CID 132681757
2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132621466
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561228
(2R)-2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-N-butylpropanamide
CID 100559167
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669
2-[[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132686248
2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132749033
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 8991446

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide (CID 51556179) is (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](C(=O)NCC(F)(F)F)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JMCZYVBQGGPHHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16F4N2O3S/c1-12(16(24)22-11-17(19,20)21)23(14-9-7-13(18)8-10-14)27(25,26)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 404.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 51556179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).