N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide

C12H10F3N3O3S — CID 71795763

IUPACN-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C12H10F3N3O3S/c1-21-11-6-10(16-7-17-11)18-22(19,20)9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,16,17,18)
InChIKeyURICPYLSHMYPLL-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.30
Rot. Bonds4

About N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71795763) has the molecular formula C12H10F3N3O3S and a molecular weight of 333.29 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71795763
Molecular FormulaC12H10F3N3O3S
Molecular Weight333.29 g/mol
Exact Mass333.04
IUPAC NameN-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C12H10F3N3O3S/c1-21-11-6-10(16-7-17-11)18-22(19,20)9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,16,17,18)
InChIKeyURICPYLSHMYPLL-UHFFFAOYSA-N
XLogP2.30
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)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-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 71795763) is N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is URICPYLSHMYPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3S/c1-21-11-6-10(16-7-17-11)18-22(19,20)9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 333.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71795763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).