4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide

C13H18BrCl2NO2S — CID 83147534

IUPAC4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(C)(C)C
InChIInChI=1S/C13H18BrCl2NO2S/c1-8(13(2,3)4)7-17-20(18,19)12-10(15)5-9(14)6-11(12)16/h5-6,8,17H,7H2,1-4H3
InChIKeyAGQODLOPWCEKJR-UHFFFAOYSA-N
MW403.17 g/mol
LogP4.72
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide (PubChem CID 83147534) has the molecular formula C13H18BrCl2NO2S and a molecular weight of 403.17 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
PubChem CID83147534
Molecular FormulaC13H18BrCl2NO2S
Molecular Weight403.17 g/mol
Exact Mass400.96
IUPAC Name4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(C)(C)C
InChIInChI=1S/C13H18BrCl2NO2S/c1-8(13(2,3)4)7-17-20(18,19)12-10(15)5-9(14)6-11(12)16/h5-6,8,17H,7H2,1-4H3
InChIKeyAGQODLOPWCEKJR-UHFFFAOYSA-N
XLogP4.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.17
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833989
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106288270
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide
CID 106146020
4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82723965
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide (CID 83147534) is 4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide is CC(CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(C)(C)C.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The InChIKey is AGQODLOPWCEKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrCl2NO2S/c1-8(13(2,3)4)7-17-20(18,19)12-10(15)5-9(14)6-11(12)16/h5-6,8,17H,7H2,1-4H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide has a molecular weight of 403.17 g/mol, XLogP of 4.72, 4 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-(2,3,3-trimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 83147534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).