3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide

C12H16Br2ClNO2S — CID 106356365

IUPAC3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)C(CCBr)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H16Br2ClNO2S/c1-8(2)12(5-6-13)16-19(17,18)9-3-4-11(15)10(14)7-9/h3-4,7-8,12,16H,5-6H2,1-2H3
InChIKeyOBNPKZMOSYARAG-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.19
Rot. Bonds6

About 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide

3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide (PubChem CID 106356365) has the molecular formula C12H16Br2ClNO2S and a molecular weight of 433.59 g/mol. Its IUPAC name is 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide
PubChem CID106356365
Molecular FormulaC12H16Br2ClNO2S
Molecular Weight433.59 g/mol
Exact Mass430.90
IUPAC Name3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)C(CCBr)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H16Br2ClNO2S/c1-8(2)12(5-6-13)16-19(17,18)9-3-4-11(15)10(14)7-9/h3-4,7-8,12,16H,5-6H2,1-2H3
InChIKeyOBNPKZMOSYARAG-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide 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-[(1R)-2-amino-1-cyclohexylethyl]-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 170964218
N-[(2R)-1-amino-3,3-dimethylbutan-2-yl]-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 170964283
N-(2-amino-1-cyclohexylethyl)-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 172179421
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 174209080
3-bromo-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 106546396
3-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 106546576
3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106610757
3-bromo-4-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 113847828
3-bromo-4-chloro-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 113847831
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 113847898
[(4-Chlorophenyl)sulfonyl][2-methyl-1-(methylethyl)propyl]amine
CID 880369
3-Bromo-4-chloro-N-methylbenzene-1-sulfonamide
CID 106545096

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide (CID 106356365) is 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide is CC(C)C(CCBr)NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide?
The InChIKey is OBNPKZMOSYARAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2ClNO2S/c1-8(2)12(5-6-13)16-19(17,18)9-3-4-11(15)10(14)7-9/h3-4,7-8,12,16H,5-6H2,1-2H3.
What are the key properties of 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide?
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide has a molecular weight of 433.59 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106356365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).