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

C11H10N2O5S — CID 4962386

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)no1
InChIInChI=1S/C11H10N2O5S/c1-7-5-10(12-18-7)13-19(16,17)9-4-2-3-8(6-9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyXETUPPRSTFARBA-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.48
Rot. Bonds4

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

3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 4962386) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
PubChem CID4962386
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)no1
InChIInChI=1S/C11H10N2O5S/c1-7-5-10(12-18-7)13-19(16,17)9-4-2-3-8(6-9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyXETUPPRSTFARBA-UHFFFAOYSA-N
XLogP1.48
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Borono-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoic acid
CID 46890070
4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid
CID 3238195
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 20935766
2-(3,5-Dimethylisoxazole-4-sulfonamido)benzoic acid
CID 25744209
2-[[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid
CID 12890329
3-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid
CID 43183644
US11911372, Example 63
CID 152204261
4-fluoro-2-methyl-N-(5-phenyl-1,2-oxazol-3-yl)benzene-1-sulfonamide
CID 72106736
4-Amino-N-(5-phenyl-isoxazol-3-yl)-benzenesulfonamide
CID 10335844
US11911372, Example 64
CID 149611698
2,6-difluoro-N-(5-phenylisoxazol-3-yl)benzenesulfonamide
CID 153380996
3,4-difluoro-N-(5-phenylisoxazol-3-yl)benzenesulfonamide
CID 153381012

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid (CID 4962386) is 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is XETUPPRSTFARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-7-5-10(12-18-7)13-19(16,17)9-4-2-3-8(6-9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 282.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 4962386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).