5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide

C12H10F3N3O4S — CID 167980928

IUPAC5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ncncc1-c1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10F3N3O4S/c1-21-11-8(5-17-6-18-11)7-2-3-9(22-12(13,14)15)10(4-7)23(16,19)20/h2-6H,1H3,(H2,16,19,20)
InChIKeyCZUKUAPCCZVNBI-UHFFFAOYSA-N
MW349.29 g/mol
LogP1.70
Rot. Bonds4

About 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide

5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 167980928) has the molecular formula C12H10F3N3O4S and a molecular weight of 349.29 g/mol. Its IUPAC name is 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID167980928
Molecular FormulaC12H10F3N3O4S
Molecular Weight349.29 g/mol
Exact Mass349.03
IUPAC Name5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ncncc1-c1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10F3N3O4S/c1-21-11-8(5-17-6-18-11)7-2-3-9(22-12(13,14)15)10(4-7)23(16,19)20/h2-6H,1H3,(H2,16,19,20)
InChIKeyCZUKUAPCCZVNBI-UHFFFAOYSA-N
XLogP1.70
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide (CID 167980928) is 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide is COc1ncncc1-c1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CZUKUAPCCZVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S/c1-21-11-8(5-17-6-18-11)7-2-3-9(22-12(13,14)15)10(4-7)23(16,19)20/h2-6H,1H3,(H2,16,19,20).
What are the key properties of 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide?
5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 349.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 167980928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).