sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide

C8H7N2NaO3S — CID 4099656

IUPACsodium 1,2-benzoxazol-3-ylmethylsulfonylazanide
SMILES[NH-]S(=O)(=O)Cc1noc2ccccc12.[Na+]
InChIInChI=1S/C8H7N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H-,9,11,12);/q-1;+1
InChIKeyZVBIRPKGWOVBLG-UHFFFAOYSA-N
MW234.21 g/mol
LogP-1.29
Rot. Bonds2

About sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide

sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide (PubChem CID 4099656) has the molecular formula C8H7N2NaO3S and a molecular weight of 234.21 g/mol. Its IUPAC name is sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide.

Molecular Properties

Compound Namesodium 1,2-benzoxazol-3-ylmethylsulfonylazanide
PubChem CID4099656
Molecular FormulaC8H7N2NaO3S
Molecular Weight234.21 g/mol
Exact Mass234.01
IUPAC Namesodium 1,2-benzoxazol-3-ylmethylsulfonylazanide
SMILES[NH-]S(=O)(=O)Cc1noc2ccccc12.[Na+]
InChIInChI=1S/C8H7N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H-,9,11,12);/q-1;+1
InChIKeyZVBIRPKGWOVBLG-UHFFFAOYSA-N
XLogP-1.29
TPSA83.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide?
The IUPAC name of sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide (CID 4099656) is sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide.
What is the SMILES notation for sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide?
The canonical SMILES for sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide is [NH-]S(=O)(=O)Cc1noc2ccccc12.[Na+].
What is the InChIKey of sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide?
The InChIKey is ZVBIRPKGWOVBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H-,9,11,12);/q-1;+1.
What are the key properties of sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide?
sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide has a molecular weight of 234.21 g/mol, XLogP of -1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,2-benzoxazol-3-ylmethylsulfonylazanide is sourced from PubChem (CID 4099656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).