sodium 1,2-benzoxazol-3-ylmethanesulfonamide

C8H8N2NaO3S+ — CID 23617171

IUPACsodium 1,2-benzoxazol-3-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1noc2ccccc12.[Na+]
InChIInChI=1S/C8H8N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H2,9,11,12);/q;+1
InChIKeyQVADSMGRZHVGPL-UHFFFAOYSA-N
MW235.22 g/mol
LogP-2.38
Rot. Bonds2

About sodium 1,2-benzoxazol-3-ylmethanesulfonamide

sodium 1,2-benzoxazol-3-ylmethanesulfonamide (PubChem CID 23617171) has the molecular formula C8H8N2NaO3S+ and a molecular weight of 235.22 g/mol. Its IUPAC name is sodium 1,2-benzoxazol-3-ylmethanesulfonamide.

Molecular Properties

Compound Namesodium 1,2-benzoxazol-3-ylmethanesulfonamide
PubChem CID23617171
Molecular FormulaC8H8N2NaO3S+
Molecular Weight235.22 g/mol
Exact Mass235.01
IUPAC Namesodium 1,2-benzoxazol-3-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1noc2ccccc12.[Na+]
InChIInChI=1S/C8H8N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H2,9,11,12);/q;+1
InChIKeyQVADSMGRZHVGPL-UHFFFAOYSA-N
XLogP-2.38
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-2.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 1,2-benzoxazol-3-ylmethanesulfonamide?
The IUPAC name of sodium 1,2-benzoxazol-3-ylmethanesulfonamide (CID 23617171) is sodium 1,2-benzoxazol-3-ylmethanesulfonamide.
What is the SMILES notation for sodium 1,2-benzoxazol-3-ylmethanesulfonamide?
The canonical SMILES for sodium 1,2-benzoxazol-3-ylmethanesulfonamide is NS(=O)(=O)Cc1noc2ccccc12.[Na+].
What is the InChIKey of sodium 1,2-benzoxazol-3-ylmethanesulfonamide?
The InChIKey is QVADSMGRZHVGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H2,9,11,12);/q;+1.
What are the key properties of sodium 1,2-benzoxazol-3-ylmethanesulfonamide?
sodium 1,2-benzoxazol-3-ylmethanesulfonamide has a molecular weight of 235.22 g/mol, XLogP of -2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,2-benzoxazol-3-ylmethanesulfonamide is sourced from PubChem (CID 23617171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).