1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea

C13H13FN4O5S — CID 3610454

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN4O5S/c1-22-10-7-11(23-2)16-12(15-10)17-13(19)18-24(20,21)9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H2,15,16,17,18,19)
InChIKeyVAQOGEFIAXRZGC-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.14
Rot. Bonds5

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea

1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea (PubChem CID 3610454) has the molecular formula C13H13FN4O5S and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea
PubChem CID3610454
Molecular FormulaC13H13FN4O5S
Molecular Weight356.34 g/mol
Exact Mass356.06
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN4O5S/c1-22-10-7-11(23-2)16-12(15-10)17-13(19)18-24(20,21)9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H2,15,16,17,18,19)
InChIKeyVAQOGEFIAXRZGC-UHFFFAOYSA-N
XLogP1.14
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea (CID 3610454) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea?
The InChIKey is VAQOGEFIAXRZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O5S/c1-22-10-7-11(23-2)16-12(15-10)17-13(19)18-24(20,21)9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea has a molecular weight of 356.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-(4-fluorophenyl)sulfonylurea is sourced from PubChem (CID 3610454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).