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

C15H13N3O3S — CID 10335844

IUPAC4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C15H13N3O3S/c16-12-6-8-13(9-7-12)22(19,20)18-15-10-14(21-17-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)
InChIKeyGELZTYZKNHMWFS-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.72
Rot. Bonds4

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

4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 10335844) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID10335844
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C15H13N3O3S/c16-12-6-8-13(9-7-12)22(19,20)18-15-10-14(21-17-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)
InChIKeyGELZTYZKNHMWFS-UHFFFAOYSA-N
XLogP2.72
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Phenyl-1,2-oxazol-3-amine
CID 3620792
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 1484368
N-(2,4-Dimethylphenyl)-4-(3-methyl-1,2-oxazol-5-YL)benzene-1-sulfonamide
CID 16022362
N-(3,5-Dimethylphenyl)-4-(3-methyl-1,2-oxazol-5-YL)benzene-1-sulfonamide
CID 16022368
N-(4-chlorophenyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 16034475
N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20917432
5-(3,5-Dimethyl-1,2-oxazol-4-YL)-2-methyl-N-phenylbenzene-1-sulfonamide
CID 53054325
2-fluoro-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)benzamide
CID 1184540
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)benzene-1-sulfonamide
CID 16025176
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 20935766
N-(4-ethylphenyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 16022356
4-(3-Methyl-5-isoxazolyl)-N~1~-(2-methylphenyl)-1-benzenesulfonamide
CID 16022358

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 10335844) is 4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is GELZTYZKNHMWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c16-12-6-8-13(9-7-12)22(19,20)18-15-10-14(21-17-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18).
What are the key properties of 4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 10335844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).