N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide

C9H18BrNO2S — CID 106145729

IUPACN-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide
SMILESCC(C)(CCBr)CNS(=O)(=O)C1CC1
InChIInChI=1S/C9H18BrNO2S/c1-9(2,5-6-10)7-11-14(12,13)8-3-4-8/h8,11H,3-7H2,1-2H3
InChIKeyIBTSFCYKVVGNDH-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.88
Rot. Bonds6

About N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide

N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide (PubChem CID 106145729) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide
PubChem CID106145729
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide
SMILESCC(C)(CCBr)CNS(=O)(=O)C1CC1
InChIInChI=1S/C9H18BrNO2S/c1-9(2,5-6-10)7-11-14(12,13)8-3-4-8/h8,11H,3-7H2,1-2H3
InChIKeyIBTSFCYKVVGNDH-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide (CID 106145729) is N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide is CC(C)(CCBr)CNS(=O)(=O)C1CC1.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide?
The InChIKey is IBTSFCYKVVGNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-9(2,5-6-10)7-11-14(12,13)8-3-4-8/h8,11H,3-7H2,1-2H3.
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide?
N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)cyclopropanesulfonamide is sourced from PubChem (CID 106145729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).