magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride

C13H16ClMgNO3S — CID 72549163

IUPACmagnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride
SMILESCCCCc1cc2cc([N-]S(C)(=O)=O)ccc2o1.[Cl-].[Mg+2]
InChIInChI=1S/C13H16NO3S.ClH.Mg/c1-3-4-5-12-9-10-8-11(14-18(2,15)16)6-7-13(10)17-12;;/h6-9H,3-5H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyOSULABLVNBNXCR-UHFFFAOYSA-M
MW326.10 g/mol
LogP0.36
Rot. Bonds5

About magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride

magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride (PubChem CID 72549163) has the molecular formula C13H16ClMgNO3S and a molecular weight of 326.10 g/mol. Its IUPAC name is magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride.

Molecular Properties

Compound Namemagnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride
PubChem CID72549163
Molecular FormulaC13H16ClMgNO3S
Molecular Weight326.10 g/mol
Exact Mass325.04
IUPAC Namemagnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride
SMILESCCCCc1cc2cc([N-]S(C)(=O)=O)ccc2o1.[Cl-].[Mg+2]
InChIInChI=1S/C13H16NO3S.ClH.Mg/c1-3-4-5-12-9-10-8-11(14-18(2,15)16)6-7-13(10)17-12;;/h6-9H,3-5H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyOSULABLVNBNXCR-UHFFFAOYSA-M
XLogP0.36
TPSA61.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.10
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride?
The IUPAC name of magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride (CID 72549163) is magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride.
What is the SMILES notation for magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride?
The canonical SMILES for magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride is CCCCc1cc2cc([N-]S(C)(=O)=O)ccc2o1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride?
The InChIKey is OSULABLVNBNXCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16NO3S.ClH.Mg/c1-3-4-5-12-9-10-8-11(14-18(2,15)16)6-7-13(10)17-12;;/h6-9H,3-5H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride?
magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride has a molecular weight of 326.10 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2-butyl-1-benzofuran-5-yl)-methylsulfonylazanide;chloride is sourced from PubChem (CID 72549163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).