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

C11H16Br2N2O3S — CID 104758514

IUPAC2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-11(2,18-3)6-15-19(16,17)10-8(13)4-7(12)5-9(10)14/h4-5,15H,6,14H2,1-3H3
InChIKeyVBVOMRLKZMWBCQ-UHFFFAOYSA-N
MW416.14 g/mol
LogP2.50
Rot. Bonds5

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

2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 104758514) has the molecular formula C11H16Br2N2O3S and a molecular weight of 416.14 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID104758514
Molecular FormulaC11H16Br2N2O3S
Molecular Weight416.14 g/mol
Exact Mass413.92
IUPAC Name2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-11(2,18-3)6-15-19(16,17)10-8(13)4-7(12)5-9(10)14/h4-5,15H,6,14H2,1-3H3
InChIKeyVBVOMRLKZMWBCQ-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

4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
CID 43371478
2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61125249
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498629
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62635948
2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63983511
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 115650768

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 104758514) is 2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is VBVOMRLKZMWBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O3S/c1-11(2,18-3)6-15-19(16,17)10-8(13)4-7(12)5-9(10)14/h4-5,15H,6,14H2,1-3H3.
What are the key properties of 2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
2-amino-4,6-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 2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 104758514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).