1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine

C14H13F3N4O5S — CID 174274739

IUPAC1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine
SMILESCOc1cc(NC(=O)N=S(=O)=O)nc(OC)c1.FC(F)(F)c1cccnc1
InChIInChI=1S/C8H9N3O5S.C6H4F3N/c1-15-5-3-6(9-7(4-5)16-2)10-8(12)11-17(13)14;7-6(8,9)5-2-1-3-10-4-5/h3-4H,1-2H3,(H,9,10,12);1-4H
InChIKeyBUZHYKJOEMERHT-UHFFFAOYSA-N
MW406.34 g/mol
LogP2.79
Rot. Bonds3

About 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine

1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine (PubChem CID 174274739) has the molecular formula C14H13F3N4O5S and a molecular weight of 406.34 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine
PubChem CID174274739
Molecular FormulaC14H13F3N4O5S
Molecular Weight406.34 g/mol
Exact Mass406.06
IUPAC Name1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine
SMILESCOc1cc(NC(=O)N=S(=O)=O)nc(OC)c1.FC(F)(F)c1cccnc1
InChIInChI=1S/C8H9N3O5S.C6H4F3N/c1-15-5-3-6(9-7(4-5)16-2)10-8(12)11-17(13)14;7-6(8,9)5-2-1-3-10-4-5/h3-4H,1-2H3,(H,9,10,12);1-4H
InChIKeyBUZHYKJOEMERHT-UHFFFAOYSA-N
XLogP2.79
TPSA119.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine?
The IUPAC name of 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine (CID 174274739) is 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine?
The canonical SMILES for 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine is COc1cc(NC(=O)N=S(=O)=O)nc(OC)c1.FC(F)(F)c1cccnc1.
What is the InChIKey of 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine?
The InChIKey is BUZHYKJOEMERHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5S.C6H4F3N/c1-15-5-3-6(9-7(4-5)16-2)10-8(12)11-17(13)14;7-6(8,9)5-2-1-3-10-4-5/h3-4H,1-2H3,(H,9,10,12);1-4H.
What are the key properties of 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine?
1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine has a molecular weight of 406.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine is sourced from PubChem (CID 174274739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).