(2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide

C21H17F3N2O3S — CID 92645963

IUPAC(2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(Nc1ccc(F)c(F)c1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17F3N2O3S/c22-16-11-12-17(20(24)19(16)23)25-21(27)18(13-14-7-3-1-4-8-14)26-30(28,29)15-9-5-2-6-10-15/h1-12,18,26H,13H2,(H,25,27)/t18-/m0/s1
InChIKeyNKCYAOGXJAJGOI-SFHVURJKSA-N
MW434.44 g/mol
LogP3.63
Rot. Bonds7

About (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide

(2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 92645963) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID92645963
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC Name(2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(Nc1ccc(F)c(F)c1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17F3N2O3S/c22-16-11-12-17(20(24)19(16)23)25-21(27)18(13-14-7-3-1-4-8-14)26-30(28,29)15-9-5-2-6-10-15/h1-12,18,26H,13H2,(H,25,27)/t18-/m0/s1
InChIKeyNKCYAOGXJAJGOI-SFHVURJKSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 28538818
3-phenyl-N-(2,3,4-trifluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43870719
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 28539595
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43889132
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43871602
2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42702728
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 41382148
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541201
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541204
(2S)-N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541415

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide (CID 92645963) is (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide is O=C(Nc1ccc(F)c(F)c1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is NKCYAOGXJAJGOI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c22-16-11-12-17(20(24)19(16)23)25-21(27)18(13-14-7-3-1-4-8-14)26-30(28,29)15-9-5-2-6-10-15/h1-12,18,26H,13H2,(H,25,27)/t18-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide?
(2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 434.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 92645963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).