lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide

C11H12LiN3O3S — CID 23665038

IUPAClithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide
SMILESCc1noc(NS(=O)(=O)c2ccc([NH-])cc2)c1C.[Li+]
InChIInChI=1S/C11H12N3O3S.Li/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6,12,14H,1-2H3;/q-1;+1
InChIKeyAOVGZDWJPDXLOI-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.22
Rot. Bonds3

About lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide

lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide (PubChem CID 23665038) has the molecular formula C11H12LiN3O3S and a molecular weight of 273.24 g/mol. Its IUPAC name is lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide.

Molecular Properties

Compound Namelithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide
PubChem CID23665038
Molecular FormulaC11H12LiN3O3S
Molecular Weight273.24 g/mol
Exact Mass273.08
IUPAC Namelithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide
SMILESCc1noc(NS(=O)(=O)c2ccc([NH-])cc2)c1C.[Li+]
InChIInChI=1S/C11H12N3O3S.Li/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6,12,14H,1-2H3;/q-1;+1
InChIKeyAOVGZDWJPDXLOI-UHFFFAOYSA-N
XLogP-0.22
TPSA96.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide?
The IUPAC name of lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide (CID 23665038) is lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide.
What is the SMILES notation for lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide?
The canonical SMILES for lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide is Cc1noc(NS(=O)(=O)c2ccc([NH-])cc2)c1C.[Li+].
What is the InChIKey of lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide?
The InChIKey is AOVGZDWJPDXLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O3S.Li/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6,12,14H,1-2H3;/q-1;+1.
What are the key properties of lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide?
lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide has a molecular weight of 273.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azanide is sourced from PubChem (CID 23665038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).