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

C17H13F3N2O4S — CID 10692234

IUPACN-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2C#N)cc1)C(F)(F)F
InChIInChI=1S/C17H13F3N2O4S/c1-16(24,17(18,19)20)15(23)22-12-6-8-13(9-7-12)27(25,26)14-5-3-2-4-11(14)10-21/h2-9,24H,1H3,(H,22,23)
InChIKeyFPLQCWXALURBDJ-UHFFFAOYSA-N
MW398.36 g/mol
LogP2.64
Rot. Bonds4

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

N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 10692234) has the molecular formula C17H13F3N2O4S and a molecular weight of 398.36 g/mol. Its IUPAC name is N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID10692234
Molecular FormulaC17H13F3N2O4S
Molecular Weight398.36 g/mol
Exact Mass398.05
IUPAC NameN-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2C#N)cc1)C(F)(F)F
InChIInChI=1S/C17H13F3N2O4S/c1-16(24,17(18,19)20)15(23)22-12-6-8-13(9-7-12)27(25,26)14-5-3-2-4-11(14)10-21/h2-9,24H,1H3,(H,22,23)
InChIKeyFPLQCWXALURBDJ-UHFFFAOYSA-N
XLogP2.64
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 10692234) is N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2C#N)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is FPLQCWXALURBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4S/c1-16(24,17(18,19)20)15(23)22-12-6-8-13(9-7-12)27(25,26)14-5-3-2-4-11(14)10-21/h2-9,24H,1H3,(H,22,23).
What are the key properties of N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 398.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10692234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).