4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide

C12H15BrCl3NO2S — CID 106146020

IUPAC4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide
SMILESCC(C)(CCCl)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H15BrCl3NO2S/c1-12(2,3-4-14)7-17-20(18,19)11-9(15)5-8(13)6-10(11)16/h5-6,17H,3-4,7H2,1-2H3
InChIKeyCAVODDJWTOAOEK-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.69
Rot. Bonds6

About 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide (PubChem CID 106146020) has the molecular formula C12H15BrCl3NO2S and a molecular weight of 423.59 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide
PubChem CID106146020
Molecular FormulaC12H15BrCl3NO2S
Molecular Weight423.59 g/mol
Exact Mass420.91
IUPAC Name4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide
SMILESCC(C)(CCCl)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H15BrCl3NO2S/c1-12(2,3-4-14)7-17-20(18,19)11-9(15)5-8(13)6-10(11)16/h5-6,17H,3-4,7H2,1-2H3
InChIKeyCAVODDJWTOAOEK-UHFFFAOYSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.69
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

4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147534
4-bromo-N-(4-bromo-2,2-dimethylbutyl)-2-chlorobenzenesulfonamide
CID 106145779
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82723965
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833989
2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
CID 114149858
4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide
CID 63422598

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide (CID 106146020) is 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide is CC(C)(CCCl)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide?
The InChIKey is CAVODDJWTOAOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl3NO2S/c1-12(2,3-4-14)7-17-20(18,19)11-9(15)5-8(13)6-10(11)16/h5-6,17H,3-4,7H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide has a molecular weight of 423.59 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 106146020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).