4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid

C10H9N3O5S — CID 102931209

IUPAC4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C10H9N3O5S/c11-6-1-2-7(10(14)15)8(5-6)19(16,17)13-9-3-4-18-12-9/h1-5H,11H2,(H,12,13)(H,14,15)
InChIKeyNJAFNOGZAPMSGZ-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.76
Rot. Bonds4

About 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid

4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid (PubChem CID 102931209) has the molecular formula C10H9N3O5S and a molecular weight of 283.26 g/mol. Its IUPAC name is 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
PubChem CID102931209
Molecular FormulaC10H9N3O5S
Molecular Weight283.26 g/mol
Exact Mass283.03
IUPAC Name4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C10H9N3O5S/c11-6-1-2-7(10(14)15)8(5-6)19(16,17)13-9-3-4-18-12-9/h1-5H,11H2,(H,12,13)(H,14,15)
InChIKeyNJAFNOGZAPMSGZ-UHFFFAOYSA-N
XLogP0.76
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.76
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

4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 55131833
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
4-amino-2-(phenylsulfamoyl)benzoic acid
CID 102930725
4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid
CID 102931334
4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902060
4-amino-2-[(4-iodophenyl)sulfamoyl]benzoic acid
CID 102930866
5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62904001
5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55201517
2-[5-(1,2-oxazol-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 60681193
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 107325808
4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
CID 102930936

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid (CID 102931209) is 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid is Nc1ccc(C(=O)O)c(S(=O)(=O)Nc2ccon2)c1.
What is the InChIKey of 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid?
The InChIKey is NJAFNOGZAPMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5S/c11-6-1-2-7(10(14)15)8(5-6)19(16,17)13-9-3-4-18-12-9/h1-5H,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid?
4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid has a molecular weight of 283.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 102931209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).