(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide

C8H8N2O4S — CID 69238074

IUPAC(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide
SMILESNS(=O)(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C8H8N2O4S/c9-15(12,13)5-10-6-3-1-2-4-7(6)14-8(10)11/h1-4H,5H2,(H2,9,12,13)
InChIKeyBDNQXLOMYPNNPK-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.16
Rot. Bonds2

About (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide

(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide (PubChem CID 69238074) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide
PubChem CID69238074
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide
SMILESNS(=O)(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C8H8N2O4S/c9-15(12,13)5-10-6-3-1-2-4-7(6)14-8(10)11/h1-4H,5H2,(H2,9,12,13)
InChIKeyBDNQXLOMYPNNPK-UHFFFAOYSA-N
XLogP-0.16
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1,3-benzoxazol-2-one
CID 11412466
3-(2,2,3,3-tetrabromopropyl)-1,3-benzoxazol-2-one
CID 619949
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl methanesulfonate
CID 19418949
N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide
CID 44721311
3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one
CID 104747231
3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
CID 2799290
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
CID 142790595
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895
3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
CID 55087544
3-[2-(3-aminopyrazol-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 63316065
(4-bromophenyl)methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725724
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide?
The IUPAC name of (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide (CID 69238074) is (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide.
What is the SMILES notation for (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide?
The canonical SMILES for (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide is NS(=O)(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide?
The InChIKey is BDNQXLOMYPNNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S/c9-15(12,13)5-10-6-3-1-2-4-7(6)14-8(10)11/h1-4H,5H2,(H2,9,12,13).
What are the key properties of (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide?
(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide has a molecular weight of 228.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 69238074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).