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

C18H17ClF3NO4S — CID 3780284

IUPAC3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO4S/c1-17(25,11-28(26,27)10-12-5-2-3-8-15(12)19)16(24)23-14-7-4-6-13(9-14)18(20,21)22/h2-9,25H,10-11H2,1H3,(H,23,24)
InChIKeyVQWPRXZMQLMWTL-UHFFFAOYSA-N
MW435.85 g/mol
LogP3.66
Rot. Bonds6

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

3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3780284) has the molecular formula C18H17ClF3NO4S and a molecular weight of 435.85 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID3780284
Molecular FormulaC18H17ClF3NO4S
Molecular Weight435.85 g/mol
Exact Mass435.05
IUPAC Name3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO4S/c1-17(25,11-28(26,27)10-12-5-2-3-8-15(12)19)16(24)23-14-7-4-6-13(9-14)18(20,21)22/h2-9,25H,10-11H2,1H3,(H,23,24)
InChIKeyVQWPRXZMQLMWTL-UHFFFAOYSA-N
XLogP3.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1476432
3-benzylsulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3598782
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
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4638465
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 44569507
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 7731405

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 3780284) is 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VQWPRXZMQLMWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO4S/c1-17(25,11-28(26,27)10-12-5-2-3-8-15(12)19)16(24)23-14-7-4-6-13(9-14)18(20,21)22/h2-9,25H,10-11H2,1H3,(H,23,24).
What are the key properties of 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 435.85 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3780284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).