1,2-benzoxazol-3-ylmethanesulfonamide

C8H8N2O3S — CID 5734

💊View drug profile → zonisamide
IUPAC1,2-benzoxazol-3-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
InChIKeyUBQNRHZMVUUOMG-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.62
Rot. Bonds2

About 1,2-benzoxazol-3-ylmethanesulfonamide

1,2-benzoxazol-3-ylmethanesulfonamide (PubChem CID 5734) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1,2-benzoxazol-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1,2-benzoxazol-3-ylmethanesulfonamide
PubChem CID5734
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name1,2-benzoxazol-3-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
InChIKeyUBQNRHZMVUUOMG-UHFFFAOYSA-N
XLogP0.62
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1,2-benzoxazole
CID 4068104
1,2-Benzoxazol-3-ylmethanesulfonimidic acid
CID 11967800
US11339151, Example 56
CID 163890379
1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-
CID 332592
1,2-Benzisoxazole-3-acetamide
CID 323639
N-((1,2-Benzisoxazol-3-ylmethyl)sulfonyl)acetamide
CID 10467478
3-(Sulfamoylmethyl)-1,2-benzisoxazole sodium salt
CID 23617171
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide
CID 141414497
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide
CID 141414499
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide
CID 141414520
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)propane-1-sulfonamide
CID 141414549
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)butane-1-sulfonamide
CID 141414556

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazol-3-ylmethanesulfonamide?
The IUPAC name of 1,2-benzoxazol-3-ylmethanesulfonamide (CID 5734) is 1,2-benzoxazol-3-ylmethanesulfonamide.
What is the SMILES notation for 1,2-benzoxazol-3-ylmethanesulfonamide?
The canonical SMILES for 1,2-benzoxazol-3-ylmethanesulfonamide is NS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 1,2-benzoxazol-3-ylmethanesulfonamide?
The InChIKey is UBQNRHZMVUUOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12).
What are the key properties of 1,2-benzoxazol-3-ylmethanesulfonamide?
1,2-benzoxazol-3-ylmethanesulfonamide has a molecular weight of 212.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazol-3-ylmethanesulfonamide is sourced from PubChem (CID 5734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).