N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide

C15H24BrNO2S — CID 106145736

IUPACN-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCC(C)(C)CCBr)c1ccccc1
InChIInChI=1S/C15H24BrNO2S/c1-13(14-7-5-4-6-8-14)11-20(18,19)17-12-15(2,3)9-10-16/h4-8,13,17H,9-12H2,1-3H3
InChIKeyGEUXZYHYIBKCLS-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.52
Rot. Bonds8

About N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide

N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide (PubChem CID 106145736) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide
PubChem CID106145736
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCC(C)(C)CCBr)c1ccccc1
InChIInChI=1S/C15H24BrNO2S/c1-13(14-7-5-4-6-8-14)11-20(18,19)17-12-15(2,3)9-10-16/h4-8,13,17H,9-12H2,1-3H3
InChIKeyGEUXZYHYIBKCLS-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.52
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-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
CID 107848755
N-(2-bromo-4,4-dimethylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158108
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(4-bromo-2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 106145865
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide (CID 106145736) is N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NCC(C)(C)CCBr)c1ccccc1.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is GEUXZYHYIBKCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-13(14-7-5-4-6-8-14)11-20(18,19)17-12-15(2,3)9-10-16/h4-8,13,17H,9-12H2,1-3H3.
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide?
N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 362.33 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 106145736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).