N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C17H16F3NO4S — CID 10810245

IUPACN-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(O)C(F)(F)F)ccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16F3NO4S/c1-11-10-12(21-15(22)16(2,23)17(18,19)20)8-9-14(11)26(24,25)13-6-4-3-5-7-13/h3-10,23H,1-2H3,(H,21,22)
InChIKeySJEPCZDBIROJSP-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.08
Rot. Bonds4

About N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 10810245) has the molecular formula C17H16F3NO4S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID10810245
Molecular FormulaC17H16F3NO4S
Molecular Weight387.38 g/mol
Exact Mass387.08
IUPAC NameN-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(O)C(F)(F)F)ccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16F3NO4S/c1-11-10-12(21-15(22)16(2,23)17(18,19)20)8-9-14(11)26(24,25)13-6-4-3-5-7-13/h3-10,23H,1-2H3,(H,21,22)
InChIKeySJEPCZDBIROJSP-UHFFFAOYSA-N
XLogP3.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
BMC146525 arylisothiocyanato derivative, R-37
CID 9934361
(2R)-3-[(4-acetamidophenyl)sulfanyl]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 10389389
(2R)-3-{[4-(2-bromoacetamido)benzene]sulfonyl}-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 10506812
(2R)-3-{[4-(2-chloroacetamido)benzene]sulfonyl}-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 10720279

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 10810245) is N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is Cc1cc(NC(=O)C(C)(O)C(F)(F)F)ccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is SJEPCZDBIROJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4S/c1-11-10-12(21-15(22)16(2,23)17(18,19)20)8-9-14(11)26(24,25)13-6-4-3-5-7-13/h3-10,23H,1-2H3,(H,21,22).
What are the key properties of N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 387.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10810245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).