N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide

C11H11N3O4S — CID 168720536

IUPACN-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide
SMILESCC(=O)c1cc(NS(=O)(=O)c2ccc(N)cc2)no1
InChIInChI=1S/C11H11N3O4S/c1-7(15)10-6-11(13-18-10)14-19(16,17)9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H,13,14)
InChIKeyIKRDIJZZCVWWKQ-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.26
Rot. Bonds4

About N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide

N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide (PubChem CID 168720536) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide
PubChem CID168720536
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC NameN-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide
SMILESCC(=O)c1cc(NS(=O)(=O)c2ccc(N)cc2)no1
InChIInChI=1S/C11H11N3O4S/c1-7(15)10-6-11(13-18-10)14-19(16,17)9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H,13,14)
InChIKeyIKRDIJZZCVWWKQ-UHFFFAOYSA-N
XLogP1.26
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide?
The IUPAC name of N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide (CID 168720536) is N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide?
The canonical SMILES for N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide is CC(=O)c1cc(NS(=O)(=O)c2ccc(N)cc2)no1.
What is the InChIKey of N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide?
The InChIKey is IKRDIJZZCVWWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7(15)10-6-11(13-18-10)14-19(16,17)9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H,13,14).
What are the key properties of N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide?
N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide has a molecular weight of 281.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide is sourced from PubChem (CID 168720536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).