4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

C11H16Br2N2O3S — CID 104758524

IUPAC4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-11(2,18-3)6-15-19(16,17)10-8(12)4-7(14)5-9(10)13/h4-5,15H,6,14H2,1-3H3
InChIKeyYGSJIXZTZCFUED-UHFFFAOYSA-N
MW416.14 g/mol
LogP2.50
Rot. Bonds5

About 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 104758524) has the molecular formula C11H16Br2N2O3S and a molecular weight of 416.14 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID104758524
Molecular FormulaC11H16Br2N2O3S
Molecular Weight416.14 g/mol
Exact Mass413.92
IUPAC Name4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-11(2,18-3)6-15-19(16,17)10-8(12)4-7(14)5-9(10)13/h4-5,15H,6,14H2,1-3H3
InChIKeyYGSJIXZTZCFUED-UHFFFAOYSA-N
XLogP2.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.14
LogP ≤ 52.50
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

2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 115650768
4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide
CID 113464460
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256860
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
CID 104758528
2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide
CID 43257086
4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114940424
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 104758524) is 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is YGSJIXZTZCFUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O3S/c1-11(2,18-3)6-15-19(16,17)10-8(12)4-7(14)5-9(10)13/h4-5,15H,6,14H2,1-3H3.
What are the key properties of 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 416.14 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 104758524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).