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

C9H8BrN3O3S — CID 62903642

IUPAC2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1cnoc1
InChIInChI=1S/C9H8BrN3O3S/c10-6-1-2-9(8(11)3-6)17(14,15)13-7-4-12-16-5-7/h1-5,13H,11H2
InChIKeyPXPKEANBESIXSD-UHFFFAOYSA-N
MW318.15 g/mol
LogP1.82
Rot. Bonds3

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

2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 62903642) has the molecular formula C9H8BrN3O3S and a molecular weight of 318.15 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID62903642
Molecular FormulaC9H8BrN3O3S
Molecular Weight318.15 g/mol
Exact Mass316.95
IUPAC Name2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1cnoc1
InChIInChI=1S/C9H8BrN3O3S/c10-6-1-2-9(8(11)3-6)17(14,15)13-7-4-12-16-5-7/h1-5,13H,11H2
InChIKeyPXPKEANBESIXSD-UHFFFAOYSA-N
XLogP1.82
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 51.82
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

2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808
2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587465
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730
2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 43257274
4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913798
2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 80708187
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638
2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 43258379
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 43258121
5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 62904170

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 62903642) is 2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)Nc1cnoc1.
What is the InChIKey of 2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is PXPKEANBESIXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O3S/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-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 318.15 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62903642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).