3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide

C16H13F4NO4S — CID 10572530

IUPAC3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C16H13F4NO4S/c1-15(23,16(18,19)20)14(22)21-11-4-8-13(9-5-11)26(24,25)12-6-2-10(17)3-7-12/h2-9,23H,1H3,(H,21,22)
InChIKeyZGRQGEXXUUJWQS-UHFFFAOYSA-N
MW391.34 g/mol
LogP2.91
Rot. Bonds4

About 3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide

3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide (PubChem CID 10572530) has the molecular formula C16H13F4NO4S and a molecular weight of 391.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide
PubChem CID10572530
Molecular FormulaC16H13F4NO4S
Molecular Weight391.34 g/mol
Exact Mass391.05
IUPAC Name3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C16H13F4NO4S/c1-15(23,16(18,19)20)14(22)21-11-4-8-13(9-5-11)26(24,25)12-6-2-10(17)3-7-12/h2-9,23H,1H3,(H,21,22)
InChIKeyZGRQGEXXUUJWQS-UHFFFAOYSA-N
XLogP2.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 52.91
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-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide (CID 10572530) is 3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is ZGRQGEXXUUJWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO4S/c1-15(23,16(18,19)20)14(22)21-11-4-8-13(9-5-11)26(24,25)12-6-2-10(17)3-7-12/h2-9,23H,1H3,(H,21,22).
What are the key properties of 3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide?
3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 391.34 g/mol, XLogP of 2.91, 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-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10572530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).