3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid

C11H11N3O5S — CID 81471487

IUPAC3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2N)no1
InChIInChI=1S/C11H11N3O5S/c1-6-4-10(13-19-6)14-20(17,18)9-3-2-7(11(15)16)5-8(9)12/h2-5H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyJMPDJROSVKGYKA-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.06
Rot. Bonds4

About 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid

3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 81471487) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
PubChem CID81471487
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2N)no1
InChIInChI=1S/C11H11N3O5S/c1-6-4-10(13-19-6)14-20(17,18)9-3-2-7(11(15)16)5-8(9)12/h2-5H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyJMPDJROSVKGYKA-UHFFFAOYSA-N
XLogP1.06
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(2-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 81470825
3-amino-4-[(5-bromo-2-pyridinyl)sulfamoyl]benzoic acid
CID 81465963
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
CID 43362452
3-amino-4-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794764
3-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81471188
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
3-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]benzoic acid
CID 106181236
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 81465783
3-amino-4-[(4-bromophenyl)sulfamoyl]benzoic acid
CID 81452961
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62804321
3-amino-4-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 81470973

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid (CID 81471487) is 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2N)no1.
What is the InChIKey of 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is JMPDJROSVKGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-6-4-10(13-19-6)14-20(17,18)9-3-2-7(11(15)16)5-8(9)12/h2-5H,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 297.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 81471487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).