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

C9H8BrN3O3S — CID 113288340

IUPAC3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccon2)ccc1Br
InChIInChI=1S/C9H8BrN3O3S/c10-7-2-1-6(5-8(7)11)17(14,15)13-9-3-4-16-12-9/h1-5H,11H2,(H,12,13)
InChIKeyQFKHPVKNHIAYHI-UHFFFAOYSA-N
MW318.15 g/mol
LogP1.82
Rot. Bonds3

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

3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 113288340) has the molecular formula C9H8BrN3O3S and a molecular weight of 318.15 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID113288340
Molecular FormulaC9H8BrN3O3S
Molecular Weight318.15 g/mol
Exact Mass316.95
IUPAC Name3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccon2)ccc1Br
InChIInChI=1S/C9H8BrN3O3S/c10-7-2-1-6(5-8(7)11)17(14,15)13-9-3-4-16-12-9/h1-5H,11H2,(H,12,13)
InChIKeyQFKHPVKNHIAYHI-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

N-(1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 51698963
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 115329522
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904150
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
3-amino-4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 115329248
4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 60660830
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 106504809
4-(3-aminoprop-1-ynyl)-3-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62903611
3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide
CID 115328712
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
CID 115329583

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 113288340) is 3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccon2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is QFKHPVKNHIAYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O3S/c10-7-2-1-6(5-8(7)11)17(14,15)13-9-3-4-16-12-9/h1-5H,11H2,(H,12,13).
What are the key properties of 3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide?
3-amino-4-bromo-N-(1,2-oxazol-3-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 3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 113288340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).