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

C10H12N2O4S — CID 92648195

IUPAC3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NC)ccc21
InChIInChI=1S/C10H12N2O4S/c1-3-12-8-5-4-7(17(14,15)11-2)6-9(8)16-10(12)13/h4-6,11H,3H2,1-2H3
InChIKeyMFWJXOCLEPDLOF-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.52
Rot. Bonds3

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

3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 92648195) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID92648195
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NC)ccc21
InChIInChI=1S/C10H12N2O4S/c1-3-12-8-5-4-7(17(14,15)11-2)6-9(8)16-10(12)13/h4-6,11H,3H2,1-2H3
InChIKeyMFWJXOCLEPDLOF-UHFFFAOYSA-N
XLogP0.52
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
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
3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
CID 110311284
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648312
2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide
CID 110615646
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648292
3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110616156

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 92648195) is 3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(=O)(=O)NC)ccc21.
What is the InChIKey of 3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is MFWJXOCLEPDLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-3-12-8-5-4-7(17(14,15)11-2)6-9(8)16-10(12)13/h4-6,11H,3H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 256.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 92648195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).