4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide

C13H12F3N3O4S — CID 3842365

IUPAC4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide
SMILESCOc1ncnc(OC)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O4S/c1-22-11-10(12(23-2)18-7-17-11)24(20,21)19-9-5-3-8(4-6-9)13(14,15)16/h3-7,19H,1-2H3
InChIKeyMLTVVXHTSXZRJC-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.31
Rot. Bonds5

About 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide

4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide (PubChem CID 3842365) has the molecular formula C13H12F3N3O4S and a molecular weight of 363.32 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide
PubChem CID3842365
Molecular FormulaC13H12F3N3O4S
Molecular Weight363.32 g/mol
Exact Mass363.05
IUPAC Name4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide
SMILESCOc1ncnc(OC)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O4S/c1-22-11-10(12(23-2)18-7-17-11)24(20,21)19-9-5-3-8(4-6-9)13(14,15)16/h3-7,19H,1-2H3
InChIKeyMLTVVXHTSXZRJC-UHFFFAOYSA-N
XLogP2.31
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide 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 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide?
The IUPAC name of 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide (CID 3842365) is 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide is COc1ncnc(OC)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide?
The InChIKey is MLTVVXHTSXZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O4S/c1-22-11-10(12(23-2)18-7-17-11)24(20,21)19-9-5-3-8(4-6-9)13(14,15)16/h3-7,19H,1-2H3.
What are the key properties of 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide?
4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide has a molecular weight of 363.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 3842365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).