sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide

C15H17N4NaO7S — CID 155514718

IUPACsodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide
SMILESCCOc1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]
InChIInChI=1S/C15H18N4O7S.Na/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3;/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20);/q;+1/p-1
InChIKeyLSGSXWVNKUZEBT-UHFFFAOYSA-M
MW420.38 g/mol
LogP-0.87
Rot. Bonds8

About sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide

sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide (PubChem CID 155514718) has the molecular formula C15H17N4NaO7S and a molecular weight of 420.38 g/mol. Its IUPAC name is sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide.

Molecular Properties

Compound Namesodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide
PubChem CID155514718
Molecular FormulaC15H17N4NaO7S
Molecular Weight420.38 g/mol
Exact Mass420.07
IUPAC Namesodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide
SMILESCCOc1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]
InChIInChI=1S/C15H18N4O7S.Na/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3;/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20);/q;+1/p-1
InChIKeyLSGSXWVNKUZEBT-UHFFFAOYSA-M
XLogP-0.87
TPSA140.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide?
The IUPAC name of sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide (CID 155514718) is sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide.
What is the SMILES notation for sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide?
The canonical SMILES for sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide is CCOc1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+].
What is the InChIKey of sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide?
The InChIKey is LSGSXWVNKUZEBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N4O7S.Na/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3;/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20);/q;+1/p-1.
What are the key properties of sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide?
sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide has a molecular weight of 420.38 g/mol, XLogP of -0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxyphenoxy)sulfonylazanide is sourced from PubChem (CID 155514718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).