sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide

C14H12ClN4NaO7S — CID 155516378

IUPACsodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide
SMILESCOC(=O)c1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(Cl)cc(OC)n1.[Na+]
InChIInChI=1S/C14H13ClN4O7S.Na/c1-24-11-7-10(15)16-13(17-11)18-14(21)19-27(22,23)26-9-6-4-3-5-8(9)12(20)25-2;/h3-7H,1-2H3,(H2,16,17,18,19,21);/q;+1/p-1
InChIKeyHFVUKSHLJLMQBY-UHFFFAOYSA-M
MW438.78 g/mol
LogP-0.84
Rot. Bonds6

About sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide

sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide (PubChem CID 155516378) has the molecular formula C14H12ClN4NaO7S and a molecular weight of 438.78 g/mol. Its IUPAC name is sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide.

Molecular Properties

Compound Namesodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide
PubChem CID155516378
Molecular FormulaC14H12ClN4NaO7S
Molecular Weight438.78 g/mol
Exact Mass438.00
IUPAC Namesodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide
SMILESCOC(=O)c1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(Cl)cc(OC)n1.[Na+]
InChIInChI=1S/C14H13ClN4O7S.Na/c1-24-11-7-10(15)16-13(17-11)18-14(21)19-27(22,23)26-9-6-4-3-5-8(9)12(20)25-2;/h3-7H,1-2H3,(H2,16,17,18,19,21);/q;+1/p-1
InChIKeyHFVUKSHLJLMQBY-UHFFFAOYSA-M
XLogP-0.84
TPSA147.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.78
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide?
The IUPAC name of sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide (CID 155516378) is sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide.
What is the SMILES notation for sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide?
The canonical SMILES for sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide is COC(=O)c1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(Cl)cc(OC)n1.[Na+].
What is the InChIKey of sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide?
The InChIKey is HFVUKSHLJLMQBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13ClN4O7S.Na/c1-24-11-7-10(15)16-13(17-11)18-14(21)19-27(22,23)26-9-6-4-3-5-8(9)12(20)25-2;/h3-7H,1-2H3,(H2,16,17,18,19,21);/q;+1/p-1.
What are the key properties of sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide?
sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide has a molecular weight of 438.78 g/mol, XLogP of -0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenoxy)sulfonylazanide is sourced from PubChem (CID 155516378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).