4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

C11H14BrCl2NO3S — CID 115650766

IUPAC4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO3S/c1-11(2,18-3)6-15-19(16,17)10-8(13)4-7(12)5-9(10)14/h4-5,15H,6H2,1-3H3
InChIKeyNJYGRPUWGZVDAQ-UHFFFAOYSA-N
MW391.11 g/mol
LogP3.46
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 115650766) has the molecular formula C11H14BrCl2NO3S and a molecular weight of 391.11 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID115650766
Molecular FormulaC11H14BrCl2NO3S
Molecular Weight391.11 g/mol
Exact Mass388.93
IUPAC Name4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO3S/c1-11(2,18-3)6-15-19(16,17)10-8(13)4-7(12)5-9(10)14/h4-5,15H,6H2,1-3H3
InChIKeyNJYGRPUWGZVDAQ-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.11
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
4-bromo-2,6-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzenesulfonamide
CID 106146020
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147534
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 115650768
4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82723965
4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114940424
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 115650766) is 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is NJYGRPUWGZVDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO3S/c1-11(2,18-3)6-15-19(16,17)10-8(13)4-7(12)5-9(10)14/h4-5,15H,6H2,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 391.11 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 115650766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).