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

C12H18Br2N2O2S — CID 62198326

IUPAC2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-3-4-5-8(2)16-19(17,18)12-10(14)6-9(13)7-11(12)15/h6-8,16H,3-5,15H2,1-2H3
InChIKeyDPEYHESQSKCDJV-UHFFFAOYSA-N
MW414.16 g/mol
LogP3.65
Rot. Bonds6

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

2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide (PubChem CID 62198326) has the molecular formula C12H18Br2N2O2S and a molecular weight of 414.16 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
PubChem CID62198326
Molecular FormulaC12H18Br2N2O2S
Molecular Weight414.16 g/mol
Exact Mass411.95
IUPAC Name2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-3-4-5-8(2)16-19(17,18)12-10(14)6-9(13)7-11(12)15/h6-8,16H,3-5,15H2,1-2H3
InChIKeyDPEYHESQSKCDJV-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.16
LogP ≤ 53.65
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

2-amino-4,6-dibromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93081298
3-amino-5-bromo-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 114379495
4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
CID 43258159
2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
1-(2-amino-4,6-dibromophenyl)sulfonyl-3-butylurea
CID 116645739
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide
CID 103171433
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 43577463
2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide
CID 62153864
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide (CID 62198326) is 2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide is CCCCC(C)NS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide?
The InChIKey is DPEYHESQSKCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O2S/c1-3-4-5-8(2)16-19(17,18)12-10(14)6-9(13)7-11(12)15/h6-8,16H,3-5,15H2,1-2H3.
What are the key properties of 2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide?
2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide has a molecular weight of 414.16 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62198326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).