2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C10H10BrN3O3S — CID 81171163

IUPAC2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C10H10BrN3O3S/c11-7-1-2-9(12)10(5-7)18(15,16)13-6-8-3-4-17-14-8/h1-5,13H,6,12H2
InChIKeyBKRREYMDYVVVDJ-UHFFFAOYSA-N
MW332.18 g/mol
LogP1.50
Rot. Bonds4

About 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 81171163) has the molecular formula C10H10BrN3O3S and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID81171163
Molecular FormulaC10H10BrN3O3S
Molecular Weight332.18 g/mol
Exact Mass330.96
IUPAC Name2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C10H10BrN3O3S/c11-7-1-2-9(12)10(5-7)18(15,16)13-6-8-3-4-17-14-8/h1-5,13H,6,12H2
InChIKeyBKRREYMDYVVVDJ-UHFFFAOYSA-N
XLogP1.50
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 51.50
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-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477683
4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477882
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956
5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176900
2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
2-amino-5-bromo-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 60986118
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126768
2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
CID 81176880
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
2-amino-5-bromo-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954439
2-amino-5-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698297
N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 81178508

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 81171163) is 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is Nc1ccc(Br)cc1S(=O)(=O)NCc1ccon1.
What is the InChIKey of 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is BKRREYMDYVVVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S/c11-7-1-2-9(12)10(5-7)18(15,16)13-6-8-3-4-17-14-8/h1-5,13H,6,12H2.
What are the key properties of 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 332.18 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81171163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).