N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide

C17H11F4N3O4S — CID 71799829

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F4N3O4S/c18-14-3-1-2-4-15(14)27-16-22-9-11(10-23-16)24-29(25,26)13-7-5-12(6-8-13)28-17(19,20)21/h1-10,24H
InChIKeySDWYBSLHZPORAD-UHFFFAOYSA-N
MW429.35 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71799829) has the molecular formula C17H11F4N3O4S and a molecular weight of 429.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71799829
Molecular FormulaC17H11F4N3O4S
Molecular Weight429.35 g/mol
Exact Mass429.04
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F4N3O4S/c18-14-3-1-2-4-15(14)27-16-22-9-11(10-23-16)24-29(25,26)13-7-5-12(6-8-13)28-17(19,20)21/h1-10,24H
InChIKeySDWYBSLHZPORAD-UHFFFAOYSA-N
XLogP4.11
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide 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-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 71799829) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SDWYBSLHZPORAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O4S/c18-14-3-1-2-4-15(14)27-16-22-9-11(10-23-16)24-29(25,26)13-7-5-12(6-8-13)28-17(19,20)21/h1-10,24H.
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 429.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71799829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).