1,3-benzoxazol-2-ylmethanesulfonamide

C8H8N2O3S — CID 3055902

IUPAC1,3-benzoxazol-2-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1nc2ccccc2o1
InChIInChI=1S/C8H8N2O3S/c9-14(11,12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H2,9,11,12)
InChIKeyOCBFIYONEZGJAF-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.62
Rot. Bonds2

About 1,3-benzoxazol-2-ylmethanesulfonamide

1,3-benzoxazol-2-ylmethanesulfonamide (PubChem CID 3055902) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1,3-benzoxazol-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1,3-benzoxazol-2-ylmethanesulfonamide
PubChem CID3055902
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name1,3-benzoxazol-2-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1nc2ccccc2o1
InChIInChI=1S/C8H8N2O3S/c9-14(11,12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H2,9,11,12)
InChIKeyOCBFIYONEZGJAF-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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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-ylmethanesulfonamide?
The IUPAC name of 1,3-benzoxazol-2-ylmethanesulfonamide (CID 3055902) is 1,3-benzoxazol-2-ylmethanesulfonamide.
What is the SMILES notation for 1,3-benzoxazol-2-ylmethanesulfonamide?
The canonical SMILES for 1,3-benzoxazol-2-ylmethanesulfonamide is NS(=O)(=O)Cc1nc2ccccc2o1.
What is the InChIKey of 1,3-benzoxazol-2-ylmethanesulfonamide?
The InChIKey is OCBFIYONEZGJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c9-14(11,12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H2,9,11,12).
What are the key properties of 1,3-benzoxazol-2-ylmethanesulfonamide?
1,3-benzoxazol-2-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 1,3-benzoxazol-2-ylmethanesulfonamide is sourced from PubChem (CID 3055902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).