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

C12H24BrNO2S — CID 106145688

IUPACN-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
SMILESCC(C)(CCBr)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-12(2,8-9-13)10-14-17(15,16)11-6-4-3-5-7-11/h11,14H,3-10H2,1-2H3
InChIKeyKGRWTFBSGOVZCC-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.05
Rot. Bonds6

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

N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide (PubChem CID 106145688) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
PubChem CID106145688
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
SMILESCC(C)(CCBr)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-12(2,8-9-13)10-14-17(15,16)11-6-4-3-5-7-11/h11,14H,3-10H2,1-2H3
InChIKeyKGRWTFBSGOVZCC-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,2-dimethyl-3-(methylamino)propyl]cyclopentanesulfonamide
CID 115271131
N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide
CID 115365303
N-(3-amino-2,2-dimethylpropyl)cyclobutanesulfonamide
CID 115270992
3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427537
N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725
N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106141685
N-(3-amino-2,2-difluoropropyl)cyclohexanesulfonamide
CID 114383985
N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
CID 115365332
N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide
CID 106304856
N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide
CID 115270989
N-(2-oxopropyl)cyclohexanesulfonamide
CID 64994168
N-(3-bromobutyl)cyclohexanesulfonamide
CID 114297660

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide (CID 106145688) is N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide is CC(C)(CCBr)CNS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide?
The InChIKey is KGRWTFBSGOVZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-12(2,8-9-13)10-14-17(15,16)11-6-4-3-5-7-11/h11,14H,3-10H2,1-2H3.
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide?
N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide has a molecular weight of 326.30 g/mol, XLogP of 3.05, 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)cyclohexanesulfonamide is sourced from PubChem (CID 106145688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).