2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide

C9H8FN3O3S — CID 55132808

IUPAC2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cnoc1
InChIInChI=1S/C9H8FN3O3S/c10-6-1-2-9(8(11)3-6)17(14,15)13-7-4-12-16-5-7/h1-5,13H,11H2
InChIKeyHLHYIBGOKILDII-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.20
Rot. Bonds3

About 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide

2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 55132808) has the molecular formula C9H8FN3O3S and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID55132808
Molecular FormulaC9H8FN3O3S
Molecular Weight257.25 g/mol
Exact Mass257.03
IUPAC Name2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cnoc1
InChIInChI=1S/C9H8FN3O3S/c10-6-1-2-9(8(11)3-6)17(14,15)13-7-4-12-16-5-7/h1-5,13H,11H2
InChIKeyHLHYIBGOKILDII-UHFFFAOYSA-N
XLogP1.20
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.20
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

2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809639
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903482
3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 79040867
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913798
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 107571257
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 55132808) is 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)Nc1cnoc1.
What is the InChIKey of 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is HLHYIBGOKILDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3S/c10-6-1-2-9(8(11)3-6)17(14,15)13-7-4-12-16-5-7/h1-5,13H,11H2.
What are the key properties of 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 257.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 55132808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).