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

C11H16BrNO2S — CID 115365229

IUPACN-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(CBr)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16BrNO2S/c1-11(2,8-12)9-13-16(14,15)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyTWIJJCVCAZVSDE-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.39
Rot. Bonds5

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

N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide (PubChem CID 115365229) has the molecular formula C11H16BrNO2S and a molecular weight of 306.22 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
PubChem CID115365229
Molecular FormulaC11H16BrNO2S
Molecular Weight306.22 g/mol
Exact Mass305.01
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(CBr)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16BrNO2S/c1-11(2,8-12)9-13-16(14,15)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyTWIJJCVCAZVSDE-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.39
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-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365251
N-(3-bromo-2,2-dimethylpropyl)-2-methylbenzenesulfonamide
CID 115365244
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
CID 114795680
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-(4-bromo-2,2-dimethylbutyl)-3-fluorobenzenesulfonamide
CID 114149778
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498566
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-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)benzenesulfonamide
CID 71787335

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide (CID 115365229) is N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide is CC(C)(CBr)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide?
The InChIKey is TWIJJCVCAZVSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-11(2,8-12)9-13-16(14,15)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3.
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide?
N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide has a molecular weight of 306.22 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide is sourced from PubChem (CID 115365229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).