4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide

C11H16Br2N2O2S — CID 43258159

IUPAC4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-3-4-7(2)15-18(16,17)11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4,14H2,1-2H3
InChIKeyOEPASGAZYGCKMJ-UHFFFAOYSA-N
MW400.14 g/mol
LogP3.26
Rot. Bonds5

About 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide

4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide (PubChem CID 43258159) has the molecular formula C11H16Br2N2O2S and a molecular weight of 400.14 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
PubChem CID43258159
Molecular FormulaC11H16Br2N2O2S
Molecular Weight400.14 g/mol
Exact Mass397.93
IUPAC Name4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-3-4-7(2)15-18(16,17)11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4,14H2,1-2H3
InChIKeyOEPASGAZYGCKMJ-UHFFFAOYSA-N
XLogP3.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463460
2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
CID 62198326
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
3-amino-4-fluoro-2,6-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 107325562
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
methyl 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]propanoate
CID 61496754
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide (CID 43258159) is 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is OEPASGAZYGCKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S/c1-3-4-7(2)15-18(16,17)11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4,14H2,1-2H3.
What are the key properties of 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide?
4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 400.14 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43258159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).