4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide

C11H12FN3O3S — CID 65485842

IUPAC4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(N)cc2F)c1C
InChIInChI=1S/C11H12FN3O3S/c1-6-7(2)14-18-11(6)15-19(16,17)10-4-3-8(13)5-9(10)12/h3-5,15H,13H2,1-2H3
InChIKeyDMYJPBIMKXGIPU-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.81
Rot. Bonds3

About 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide (PubChem CID 65485842) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide
PubChem CID65485842
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(N)cc2F)c1C
InChIInChI=1S/C11H12FN3O3S/c1-6-7(2)14-18-11(6)15-19(16,17)10-4-3-8(13)5-9(10)12/h3-5,15H,13H2,1-2H3
InChIKeyDMYJPBIMKXGIPU-UHFFFAOYSA-N
XLogP1.81
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.81
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

4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluorobenzenesulfonamide
CID 82844498
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzenesulfonamide
CID 65487179
4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65488136
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydrazinylpyridine-3-sulfonamide
CID 65488718
N-[3-bromo-4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 18754970
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201311
bis(4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide);2-(2-hydroxyethylamino)ethanol
CID 66830855

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide (CID 65485842) is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccc(N)cc2F)c1C.
What is the InChIKey of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide?
The InChIKey is DMYJPBIMKXGIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-6-7(2)14-18-11(6)15-19(16,17)10-4-3-8(13)5-9(10)12/h3-5,15H,13H2,1-2H3.
What are the key properties of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide?
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 65485842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).