4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide

C13H20BrNO3S — CID 113434225

IUPAC4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
SMILESCOCCC(C)(C)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO3S/c1-13(2,8-9-18-3)10-15-19(16,17)12-6-4-11(14)5-7-12/h4-7,15H,8-10H2,1-3H3
InChIKeyGALGXFDUFDWUPX-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.79
Rot. Bonds7

About 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide

4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide (PubChem CID 113434225) has the molecular formula C13H20BrNO3S and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
PubChem CID113434225
Molecular FormulaC13H20BrNO3S
Molecular Weight350.28 g/mol
Exact Mass349.03
IUPAC Name4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
SMILESCOCCC(C)(C)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO3S/c1-13(2,8-9-18-3)10-15-19(16,17)12-6-4-11(14)5-7-12/h4-7,15H,8-10H2,1-3H3
InChIKeyGALGXFDUFDWUPX-UHFFFAOYSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
4-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-3-nitrobenzenesulfonamide
CID 138043278
2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 104859338
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 113090353
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzenesulfonamide
CID 103834939
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
2-[1-[(4-bromophenyl)sulfonylamino]-2-methylpropan-2-yl]oxy-2-oxoacetic acid
CID 164665320
N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide
CID 104624458
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599294
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504851
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide (CID 113434225) is 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide is COCCC(C)(C)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide?
The InChIKey is GALGXFDUFDWUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3S/c1-13(2,8-9-18-3)10-15-19(16,17)12-6-4-11(14)5-7-12/h4-7,15H,8-10H2,1-3H3.
What are the key properties of 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide?
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide has a molecular weight of 350.28 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 113434225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).