potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide

C15H15KN4O5S — CID 15375486

IUPACpotassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide
SMILESCOC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(C)cc(C)n1.[K+]
InChIInChI=1S/C15H16N4O5S.K/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3;/h4-8H,1-3H3,(H2,16,17,18,19,21);/q;+1/p-1
InChIKeyOJIBMMKMXQHCPN-UHFFFAOYSA-M
MW402.47 g/mol
LogP-0.82
Rot. Bonds4

About potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide

potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide (PubChem CID 15375486) has the molecular formula C15H15KN4O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide.

Molecular Properties

Compound Namepotassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide
PubChem CID15375486
Molecular FormulaC15H15KN4O5S
Molecular Weight402.47 g/mol
Exact Mass402.04
IUPAC Namepotassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide
SMILESCOC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(C)cc(C)n1.[K+]
InChIInChI=1S/C15H16N4O5S.K/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3;/h4-8H,1-3H3,(H2,16,17,18,19,21);/q;+1/p-1
InChIKeyOJIBMMKMXQHCPN-UHFFFAOYSA-M
XLogP-0.82
TPSA129.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide?
The IUPAC name of potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide (CID 15375486) is potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide.
What is the SMILES notation for potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide?
The canonical SMILES for potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide is COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(C)cc(C)n1.[K+].
What is the InChIKey of potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide?
The InChIKey is OJIBMMKMXQHCPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16N4O5S.K/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3;/h4-8H,1-3H3,(H2,16,17,18,19,21);/q;+1/p-1.
What are the key properties of potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide?
potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide has a molecular weight of 402.47 g/mol, XLogP of -0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide is sourced from PubChem (CID 15375486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).