3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C9H10N2O4S — CID 63839677

IUPAC3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C9H10N2O4S/c1-2-11-7-4-3-6(16(10,13)14)5-8(7)15-9(11)12/h3-5H,2H2,1H3,(H2,10,13,14)
InChIKeyXEOLGYDUCRGPEO-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.26
Rot. Bonds2

About 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 63839677) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID63839677
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C9H10N2O4S/c1-2-11-7-4-3-6(16(10,13)14)5-8(7)15-9(11)12/h3-5H,2H2,1H3,(H2,10,13,14)
InChIKeyXEOLGYDUCRGPEO-UHFFFAOYSA-N
XLogP0.26
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280
3-ethyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299879
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71683958
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648212
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648312
3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110616156
3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357042
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 63839677) is 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is XEOLGYDUCRGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-2-11-7-4-3-6(16(10,13)14)5-8(7)15-9(11)12/h3-5H,2H2,1H3,(H2,10,13,14).
What are the key properties of 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 63839677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).