3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid

C10H10N4O5S — CID 106392086

IUPAC3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid
SMILESNc1cc(C(=O)O)ccc1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C10H10N4O5S/c11-7-3-6(10(15)16)1-2-8(7)20(17,18)13-4-9-12-5-19-14-9/h1-3,5,13H,4,11H2,(H,15,16)
InChIKeyTUZODGVAEDEUFG-UHFFFAOYSA-N
MW298.28 g/mol
LogP-0.17
Rot. Bonds5

About 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid

3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid (PubChem CID 106392086) has the molecular formula C10H10N4O5S and a molecular weight of 298.28 g/mol. Its IUPAC name is 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid
PubChem CID106392086
Molecular FormulaC10H10N4O5S
Molecular Weight298.28 g/mol
Exact Mass298.04
IUPAC Name3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid
SMILESNc1cc(C(=O)O)ccc1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C10H10N4O5S/c11-7-3-6(10(15)16)1-2-8(7)20(17,18)13-4-9-12-5-19-14-9/h1-3,5,13H,4,11H2,(H,15,16)
InChIKeyTUZODGVAEDEUFG-UHFFFAOYSA-N
XLogP-0.17
TPSA148.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392142
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392187
3-amino-2,4-dichloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392127
5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 114183306
3-amino-4-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 113303512
4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411026
5-amino-2,4-dimethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392075
5-amino-2-bromo-4-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392188
4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302
5-amino-2,3-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392115
3-amino-4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 81457711
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid (CID 106392086) is 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid is Nc1cc(C(=O)O)ccc1S(=O)(=O)NCc1ncon1.
What is the InChIKey of 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid?
The InChIKey is TUZODGVAEDEUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5S/c11-7-3-6(10(15)16)1-2-8(7)20(17,18)13-4-9-12-5-19-14-9/h1-3,5,13H,4,11H2,(H,15,16).
What are the key properties of 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid?
3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid has a molecular weight of 298.28 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 106392086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).