3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

C17H16F3NO4S — CID 3794816

IUPAC3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO4S/c1-16(23,11-26(24,25)14-8-3-2-4-9-14)15(22)21-13-7-5-6-12(10-13)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22)
InChIKeyYYLALWXEJOYRET-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.87
Rot. Bonds5

About 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3794816) has the molecular formula C17H16F3NO4S and a molecular weight of 387.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID3794816
Molecular FormulaC17H16F3NO4S
Molecular Weight387.38 g/mol
Exact Mass387.08
IUPAC Name3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO4S/c1-16(23,11-26(24,25)14-8-3-2-4-9-14)15(22)21-13-7-5-6-12(10-13)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22)
InChIKeyYYLALWXEJOYRET-UHFFFAOYSA-N
XLogP2.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bicalutamide
CID 2375
(R)-Bicalutamide
CID 56069
(S)-Bicalutamide
CID 441405
Acetothiolutamide
CID 10873814
(2S)-3-[(4-aminophenyl)sulfanyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 10715687
(2S)-3-[(3-aminophenyl)sulfanyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 10715688
(2R)-3-[(4-aminophenyl)sulfanyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 11794987
N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 5240098
(2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 6102762
Bicalutamide sulfide
CID 9800987
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[(3-isothiocyanatobenzene)sulfonyl]-2-methylpropanamide
CID 9869286
BMC146525 arylisothiocyanato derivative, R-37
CID 9934361

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 3794816) is 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YYLALWXEJOYRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4S/c1-16(23,11-26(24,25)14-8-3-2-4-9-14)15(22)21-13-7-5-6-12(10-13)17(18,19)20/h2-10,23H,11H2,1H3,(H,21,22).
What are the key properties of 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 387.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3794816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).