3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide

C13H11N3O5S — CID 110727203

IUPAC3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc[nH]c3=O)ccc21
InChIInChI=1S/C13H11N3O5S/c1-16-10-5-4-8(7-11(10)21-13(16)18)22(19,20)15-9-3-2-6-14-12(9)17/h2-7,15H,1H3,(H,14,17)
InChIKeyBWHINXNMJDEMAJ-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.62
Rot. Bonds3

About 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 110727203) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
PubChem CID110727203
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc[nH]c3=O)ccc21
InChIInChI=1S/C13H11N3O5S/c1-16-10-5-4-8(7-11(10)21-13(16)18)22(19,20)15-9-3-2-6-14-12(9)17/h2-7,15H,1H3,(H,14,17)
InChIKeyBWHINXNMJDEMAJ-UHFFFAOYSA-N
XLogP0.62
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 55559647
3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55729737
N-(1H-indol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110730877
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
CID 61394264
N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110424716
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713533
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
1-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-3H-indole-5-sulfonamide
CID 110727217
N-(3-ethynylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31397830

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide (CID 110727203) is 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc[nH]c3=O)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is BWHINXNMJDEMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c1-16-10-5-4-8(7-11(10)21-13(16)18)22(19,20)15-9-3-2-6-14-12(9)17/h2-7,15H,1H3,(H,14,17).
What are the key properties of 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 321.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110727203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).