2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide

C11H15Br2NO2S — CID 115365251

IUPAC2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(CBr)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H15Br2NO2S/c1-11(2,7-12)8-14-17(15,16)10-6-4-3-5-9(10)13/h3-6,14H,7-8H2,1-2H3
InChIKeyZSOHIPPBKXUFGG-UHFFFAOYSA-N
MW385.12 g/mol
LogP3.15
Rot. Bonds5

About 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide

2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide (PubChem CID 115365251) has the molecular formula C11H15Br2NO2S and a molecular weight of 385.12 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
PubChem CID115365251
Molecular FormulaC11H15Br2NO2S
Molecular Weight385.12 g/mol
Exact Mass382.92
IUPAC Name2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(CBr)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H15Br2NO2S/c1-11(2,7-12)8-14-17(15,16)10-6-4-3-5-9(10)13/h3-6,14H,7-8H2,1-2H3
InChIKeyZSOHIPPBKXUFGG-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.12
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-2-methylbenzenesulfonamide
CID 115365244
N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
CID 114795680
N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365229
2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
N-(3-bromo-2,2-dimethylpropyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 113295109
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 71782634
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide (CID 115365251) is 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide is CC(C)(CBr)CNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide?
The InChIKey is ZSOHIPPBKXUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S/c1-11(2,7-12)8-14-17(15,16)10-6-4-3-5-9(10)13/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide?
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide has a molecular weight of 385.12 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide is sourced from PubChem (CID 115365251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).