N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide

C11H14Br2N2O3S — CID 62047703

IUPACN-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H14Br2N2O3S/c12-7-5-9(13)11(10(14)6-7)15-19(16,17)8-1-3-18-4-2-8/h5-6,8,15H,1-4,14H2
InChIKeyBMNTWEDXVQFFSF-UHFFFAOYSA-N
MW414.12 g/mol
LogP2.71
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide

N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide (PubChem CID 62047703) has the molecular formula C11H14Br2N2O3S and a molecular weight of 414.12 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide
PubChem CID62047703
Molecular FormulaC11H14Br2N2O3S
Molecular Weight414.12 g/mol
Exact Mass411.91
IUPAC NameN-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H14Br2N2O3S/c12-7-5-9(13)11(10(14)6-7)15-19(16,17)8-1-3-18-4-2-8/h5-6,8,15H,1-4,14H2
InChIKeyBMNTWEDXVQFFSF-UHFFFAOYSA-N
XLogP2.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
CID 55037574
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705
N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide
CID 81313587
N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide
CID 79729960
N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
CID 62048974
N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide
CID 102820673
N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
CID 62049563
N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide
CID 104757256
N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
CID 114270035
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
CID 43550659
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide
CID 116813691

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide (CID 62047703) is N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide is Nc1cc(Br)cc(Br)c1NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide?
The InChIKey is BMNTWEDXVQFFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O3S/c12-7-5-9(13)11(10(14)6-7)15-19(16,17)8-1-3-18-4-2-8/h5-6,8,15H,1-4,14H2.
What are the key properties of N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide?
N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide has a molecular weight of 414.12 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide is sourced from PubChem (CID 62047703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).