N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C21H19F3N2O3S — CID 145433764

IUPACN-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(-c2ccncc2O)c1
InChIInChI=1S/C21H19F3N2O3S/c1-20(2,15-7-5-6-14(12-15)16-10-11-25-13-18(16)27)26-30(28,29)19-9-4-3-8-17(19)21(22,23)24/h3-13,26-27H,1-2H3
InChIKeyZZNNVRMXGXIKBS-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.69
Rot. Bonds5

About N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 145433764) has the molecular formula C21H19F3N2O3S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID145433764
Molecular FormulaC21H19F3N2O3S
Molecular Weight436.46 g/mol
Exact Mass436.11
IUPAC NameN-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(-c2ccncc2O)c1
InChIInChI=1S/C21H19F3N2O3S/c1-20(2,15-7-5-6-14(12-15)16-10-11-25-13-18(16)27)26-30(28,29)19-9-4-3-8-17(19)21(22,23)24/h3-13,26-27H,1-2H3
InChIKeyZZNNVRMXGXIKBS-UHFFFAOYSA-N
XLogP4.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 145433764) is N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(-c2ccncc2O)c1.
What is the InChIKey of N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZZNNVRMXGXIKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3S/c1-20(2,15-7-5-6-14(12-15)16-10-11-25-13-18(16)27)26-30(28,29)19-9-4-3-8-17(19)21(22,23)24/h3-13,26-27H,1-2H3.
What are the key properties of N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 436.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 145433764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).