3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide

C15H13F3N2O4S — CID 10761920

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2cccnc2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O4S/c1-14(22,15(16,17)18)13(21)20-10-4-6-11(7-5-10)25(23,24)12-3-2-8-19-9-12/h2-9,22H,1H3,(H,20,21)
InChIKeyCBVDKJDKOREVOE-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.17
Rot. Bonds4

About 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide

3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide (PubChem CID 10761920) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide
PubChem CID10761920
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2cccnc2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O4S/c1-14(22,15(16,17)18)13(21)20-10-4-6-11(7-5-10)25(23,24)12-3-2-8-19-9-12/h2-9,22H,1H3,(H,20,21)
InChIKeyCBVDKJDKOREVOE-UHFFFAOYSA-N
XLogP2.17
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide (CID 10761920) is 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2cccnc2)cc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide?
The InChIKey is CBVDKJDKOREVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-14(22,15(16,17)18)13(21)20-10-4-6-11(7-5-10)25(23,24)12-3-2-8-19-9-12/h2-9,22H,1H3,(H,20,21).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide?
3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide has a molecular weight of 374.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-pyridin-3-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 10761920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).