N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide

C11H24BrNO2S — CID 103521846

IUPACN-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC(C)(C)CCBr
InChIInChI=1S/C11H24BrNO2S/c1-10(2,3)7-9-16(14,15)13-11(4,5)6-8-12/h13H,6-9H2,1-5H3
InChIKeyJNDQUQVKBMYCBY-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.91
Rot. Bonds6

About N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide

N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521846) has the molecular formula C11H24BrNO2S and a molecular weight of 314.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521846
Molecular FormulaC11H24BrNO2S
Molecular Weight314.29 g/mol
Exact Mass313.07
IUPAC NameN-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC(C)(C)CCBr
InChIInChI=1S/C11H24BrNO2S/c1-10(2,3)7-9-16(14,15)13-11(4,5)6-8-12/h13H,6-9H2,1-5H3
InChIKeyJNDQUQVKBMYCBY-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.91
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

1-Propanesulfonamide, 3-bromo-N-(1,1,3,3-tetramethylbutyl)-
CID 99367
N-(1-bromo-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83057949
N-(4-bromo-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116345738
2-bromo-N-tert-butylethanesulfonamide
CID 175257796
N-(1,3-dibromo-2-methylpropan-2-yl)propane-1-sulfonamide
CID 81966631
N-(1,3-dibromo-2-methylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 81967250
N-(1,3-dibromo-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 81967252
N-(1,3-dibromo-2-methylpropan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 81967363
N-(1,3-dibromo-2-methylpropan-2-yl)-2-methylpropane-2-sulfonamide
CID 81967367
N-(1,3-dibromo-2-methylpropan-2-yl)butane-1-sulfonamide
CID 81967570
N-(1,3-dibromo-2-methylpropan-2-yl)propane-2-sulfonamide
CID 81967572
N-(1,3-dibromo-2-methylpropan-2-yl)ethanesulfonamide
CID 81967776

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide (CID 103521846) is N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC(C)(C)CCBr.
What is the InChIKey of N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is JNDQUQVKBMYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO2S/c1-10(2,3)7-9-16(14,15)13-11(4,5)6-8-12/h13H,6-9H2,1-5H3.
What are the key properties of N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 314.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).