N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C16H12F3NO4S — CID 10690586

IUPACN-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)C(F)(F)F
InChIInChI=1S/C16H12F3NO4S/c1-15(22,16(17,18)19)14(21)20-9-6-7-13-11(8-9)10-4-2-3-5-12(10)25(13,23)24/h2-8,22H,1H3,(H,20,21)
InChIKeyGZWMDPGUFOOZAX-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.75
Rot. Bonds2

About N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 10690586) has the molecular formula C16H12F3NO4S and a molecular weight of 371.34 g/mol. Its IUPAC name is N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID10690586
Molecular FormulaC16H12F3NO4S
Molecular Weight371.34 g/mol
Exact Mass371.04
IUPAC NameN-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)C(F)(F)F
InChIInChI=1S/C16H12F3NO4S/c1-15(22,16(17,18)19)14(21)20-9-6-7-13-11(8-9)10-4-2-3-5-12(10)25(13,23)24/h2-8,22H,1H3,(H,20,21)
InChIKeyGZWMDPGUFOOZAX-UHFFFAOYSA-N
XLogP2.75
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 5240098
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-acetamide
CID 14918530
BMC146525 arylisothiocyanato derivative, R-37
CID 9934361
(2R)-3-(4-aminophenyl)sulfonyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 44348917
3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide
CID 10572530
Desfluoro bicalutamide
CID 10112342
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-{[3-(trifluoromethyl)phenyl]sulfonyl}propanamide
CID 3534970
3-(benzylsulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3598782
2-hydroxy-2-methyl-3-{[3-(trifluoromethyl)benzyl]sulfonyl}-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3652863
3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3794816
3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4678506
2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-3-{[3-(trifluoromethyl)phenyl]sulfonyl}propanamide
CID 5188751

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 10690586) is N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)C(F)(F)F.
What is the InChIKey of N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is GZWMDPGUFOOZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO4S/c1-15(22,16(17,18)19)14(21)20-9-6-7-13-11(8-9)10-4-2-3-5-12(10)25(13,23)24/h2-8,22H,1H3,(H,20,21).
What are the key properties of N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 371.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10690586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).