N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

C17H12F3N3O3S — CID 39336193

IUPACN-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2ncccn2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)14-7-1-2-8-15(14)27(24,25)23-12-5-3-6-13(11-12)26-16-21-9-4-10-22-16/h1-11,23H
InChIKeyYZSVSRONAJEIJO-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.09
Rot. Bonds5

About N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 39336193) has the molecular formula C17H12F3N3O3S and a molecular weight of 395.36 g/mol. Its IUPAC name is N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID39336193
Molecular FormulaC17H12F3N3O3S
Molecular Weight395.36 g/mol
Exact Mass395.06
IUPAC NameN-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2ncccn2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)14-7-1-2-8-15(14)27(24,25)23-12-5-3-6-13(11-12)26-16-21-9-4-10-22-16/h1-11,23H
InChIKeyYZSVSRONAJEIJO-UHFFFAOYSA-N
XLogP4.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 39336193) is N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Oc2ncccn2)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YZSVSRONAJEIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S/c18-17(19,20)14-7-1-2-8-15(14)27(24,25)23-12-5-3-6-13(11-12)26-16-21-9-4-10-22-16/h1-11,23H.
What are the key properties of N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 395.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 39336193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).