4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide

C13H16Br2N2O2S — CID 61479282

IUPAC4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NC(C2CC2)C2CC2)c(Br)c1
InChIInChI=1S/C13H16Br2N2O2S/c14-10-5-9(16)6-11(15)13(10)20(18,19)17-12(7-1-2-7)8-3-4-8/h5-8,12,17H,1-4,16H2
InChIKeyTUPOGEMLSBUVJB-UHFFFAOYSA-N
MW424.16 g/mol
LogP3.26
Rot. Bonds5

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

4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide (PubChem CID 61479282) has the molecular formula C13H16Br2N2O2S and a molecular weight of 424.16 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
PubChem CID61479282
Molecular FormulaC13H16Br2N2O2S
Molecular Weight424.16 g/mol
Exact Mass421.93
IUPAC Name4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NC(C2CC2)C2CC2)c(Br)c1
InChIInChI=1S/C13H16Br2N2O2S/c14-10-5-9(16)6-11(15)13(10)20(18,19)17-12(7-1-2-7)8-3-4-8/h5-8,12,17H,1-4,16H2
InChIKeyTUPOGEMLSBUVJB-UHFFFAOYSA-N
XLogP3.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.16
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

2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide
CID 166387257
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 65206493
methyl 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]propanoate
CID 61496754
4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463460
4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
CID 43258159
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
CID 43258329
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725622
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide (CID 61479282) is 4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide is Nc1cc(Br)c(S(=O)(=O)NC(C2CC2)C2CC2)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide?
The InChIKey is TUPOGEMLSBUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O2S/c14-10-5-9(16)6-11(15)13(10)20(18,19)17-12(7-1-2-7)8-3-4-8/h5-8,12,17H,1-4,16H2.
What are the key properties of 4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide has a molecular weight of 424.16 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-(dicyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 61479282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).