3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide

C17H14F5NO4S — CID 23439468

IUPAC3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)(O)C(F)(F)F)ccc(S(=O)(=O)c2ccc(F)cc2)c1F
InChIInChI=1S/C17H14F5NO4S/c1-9-12(23-15(24)16(2,25)17(20,21)22)7-8-13(14(9)19)28(26,27)11-5-3-10(18)4-6-11/h3-8,25H,1-2H3,(H,23,24)
InChIKeyIYFDUUBELMMFRP-UHFFFAOYSA-N
MW423.36 g/mol
LogP3.36
Rot. Bonds4

About 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide

3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide (PubChem CID 23439468) has the molecular formula C17H14F5NO4S and a molecular weight of 423.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide
PubChem CID23439468
Molecular FormulaC17H14F5NO4S
Molecular Weight423.36 g/mol
Exact Mass423.06
IUPAC Name3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)(O)C(F)(F)F)ccc(S(=O)(=O)c2ccc(F)cc2)c1F
InChIInChI=1S/C17H14F5NO4S/c1-9-12(23-15(24)16(2,25)17(20,21)22)7-8-13(14(9)19)28(26,27)11-5-3-10(18)4-6-11/h3-8,25H,1-2H3,(H,23,24)
InChIKeyIYFDUUBELMMFRP-UHFFFAOYSA-N
XLogP3.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide (CID 23439468) is 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide is Cc1c(NC(=O)C(C)(O)C(F)(F)F)ccc(S(=O)(=O)c2ccc(F)cc2)c1F.
What is the InChIKey of 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is IYFDUUBELMMFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NO4S/c1-9-12(23-15(24)16(2,25)17(20,21)22)7-8-13(14(9)19)28(26,27)11-5-3-10(18)4-6-11/h3-8,25H,1-2H3,(H,23,24).
What are the key properties of 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide?
3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 423.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-fluoro-4-(4-fluorophenyl)sulfonyl-2-methylphenyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 23439468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).