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

C18H18F3NO4S — CID 3598782

IUPAC3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO4S/c1-17(24,12-27(25,26)11-13-6-3-2-4-7-13)16(23)22-15-9-5-8-14(10-15)18(19,20)21/h2-10,24H,11-12H2,1H3,(H,22,23)
InChIKeyIERKEXQSHCCPAG-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.01
Rot. Bonds6

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

3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3598782) has the molecular formula C18H18F3NO4S and a molecular weight of 401.41 g/mol. Its IUPAC name is 3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID3598782
Molecular FormulaC18H18F3NO4S
Molecular Weight401.41 g/mol
Exact Mass401.09
IUPAC Name3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO4S/c1-17(24,12-27(25,26)11-13-6-3-2-4-7-13)16(23)22-15-9-5-8-14(10-15)18(19,20)21/h2-10,24H,11-12H2,1H3,(H,22,23)
InChIKeyIERKEXQSHCCPAG-UHFFFAOYSA-N
XLogP3.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2S)-3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1476432
3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3780284
2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3512423
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
1-benzyl-1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3487348
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 3598782) is 3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IERKEXQSHCCPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4S/c1-17(24,12-27(25,26)11-13-6-3-2-4-7-13)16(23)22-15-9-5-8-14(10-15)18(19,20)21/h2-10,24H,11-12H2,1H3,(H,22,23).
What are the key properties of 3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 401.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3598782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).