4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide

C24H28N6O7S2 — CID 174831102

About 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide (PubChem CID 174831102) has the molecular formula C24H28N6O7S2 and a molecular weight of 576.66 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
• PubChem CID: 174831102
• Molecular Formula: C24H28N6O7S2
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.15
• IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
• SMILES: CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1.Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
• InChI: InChI=1S/C13H15N3O4S.C11H13N3O3S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12;1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h4-7H,14H2,1-3H3;3-6,14H,12H2,1-2H3
• InChIKey: RTYBAIVEPYDGNN-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 204.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?

The IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide (CID 174831102) is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide.

What is the SMILES notation for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?

The canonical SMILES for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide is CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1.Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.

What is the InChIKey of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?

The InChIKey is RTYBAIVEPYDGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S.C11H13N3O3S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12;1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h4-7H,14H2,1-3H3;3-6,14H,12H2,1-2H3.

What are the key properties of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 576.66 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 174831102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).