(2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide

C15H13F3N2O4S — CID 99646668

IUPAC(2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(NS(=O)(=O)c1cccnc1)[C@@H](OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H13F3N2O4S/c16-15(17,18)10-24-13(11-5-2-1-3-6-11)14(21)20-25(22,23)12-7-4-8-19-9-12/h1-9,13H,10H2,(H,20,21)/t13-/m0/s1
InChIKeyXLGOAKSPHAGJLY-ZDUSSCGKSA-N
MW374.34 g/mol
LogP2.21
Rot. Bonds6

About (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide

(2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 99646668) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID99646668
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name(2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(NS(=O)(=O)c1cccnc1)[C@@H](OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H13F3N2O4S/c16-15(17,18)10-24-13(11-5-2-1-3-6-11)14(21)20-25(22,23)12-7-4-8-19-9-12/h1-9,13H,10H2,(H,20,21)/t13-/m0/s1
InChIKeyXLGOAKSPHAGJLY-ZDUSSCGKSA-N
XLogP2.21
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methoxy-2-phenyl-N-pyridin-3-ylsulfonylacetamide
CID 95301779
2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide
CID 59892161
(2R)-2-phenylmethoxy-N-pyridin-3-ylsulfonylpropanamide
CID 94189477
(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride
CID 66764263
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
(2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 99578421
N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 104858661
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
CID 91644611
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide
CID 94189479

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 99646668) is (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide is O=C(NS(=O)(=O)c1cccnc1)[C@@H](OCC(F)(F)F)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is XLGOAKSPHAGJLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c16-15(17,18)10-24-13(11-5-2-1-3-6-11)14(21)20-25(22,23)12-7-4-8-19-9-12/h1-9,13H,10H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide?
(2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 374.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 99646668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).