4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide

C10H9N3O4S — CID 102025730

IUPAC4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(C=O)on2)cc1
InChIInChI=1S/C10H9N3O4S/c11-7-1-3-9(4-2-7)18(15,16)13-10-5-8(6-14)17-12-10/h1-6H,11H2,(H,12,13)
InChIKeyOWFSNHYARWRAJY-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.87
Rot. Bonds4

About 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide

4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 102025730) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID102025730
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(C=O)on2)cc1
InChIInChI=1S/C10H9N3O4S/c11-7-1-3-9(4-2-7)18(15,16)13-10-5-8(6-14)17-12-10/h1-6H,11H2,(H,12,13)
InChIKeyOWFSNHYARWRAJY-UHFFFAOYSA-N
XLogP0.87
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 102025730) is 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cc(C=O)on2)cc1.
What is the InChIKey of 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is OWFSNHYARWRAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c11-7-1-3-9(4-2-7)18(15,16)13-10-5-8(6-14)17-12-10/h1-6H,11H2,(H,12,13).
What are the key properties of 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 102025730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).