2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid

C13H13N3O6S — CID 12890329

IUPAC2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCc1cc(NC(=O)CNS(=O)(=O)c2ccccc2C(=O)O)no1
InChIInChI=1S/C13H13N3O6S/c1-8-6-11(16-22-8)15-12(17)7-14-23(20,21)10-5-3-2-4-9(10)13(18)19/h2-6,14H,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyHNPUKTBJFBUKQR-UHFFFAOYSA-N
MW339.33 g/mol
LogP0.60
Rot. Bonds6

About 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid

2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 12890329) has the molecular formula C13H13N3O6S and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID12890329
Molecular FormulaC13H13N3O6S
Molecular Weight339.33 g/mol
Exact Mass339.05
IUPAC Name2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCc1cc(NC(=O)CNS(=O)(=O)c2ccccc2C(=O)O)no1
InChIInChI=1S/C13H13N3O6S/c1-8-6-11(16-22-8)15-12(17)7-14-23(20,21)10-5-3-2-4-9(10)13(18)19/h2-6,14H,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyHNPUKTBJFBUKQR-UHFFFAOYSA-N
XLogP0.60
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid (CID 12890329) is 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid is Cc1cc(NC(=O)CNS(=O)(=O)c2ccccc2C(=O)O)no1.
What is the InChIKey of 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is HNPUKTBJFBUKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O6S/c1-8-6-11(16-22-8)15-12(17)7-14-23(20,21)10-5-3-2-4-9(10)13(18)19/h2-6,14H,7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid?
2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 339.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 12890329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).