4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide

C11H14BrCl2NO3S — CID 47957290

IUPAC4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO3S/c1-3-18-6-7(2)15-19(16,17)11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,3,6H2,1-2H3
InChIKeyKDYYZOCGRQAEIN-UHFFFAOYSA-N
MW391.11 g/mol
LogP3.46
Rot. Bonds6

About 4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide (PubChem CID 47957290) has the molecular formula C11H14BrCl2NO3S and a molecular weight of 391.11 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
PubChem CID47957290
Molecular FormulaC11H14BrCl2NO3S
Molecular Weight391.11 g/mol
Exact Mass388.93
IUPAC Name4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO3S/c1-3-18-6-7(2)15-19(16,17)11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,3,6H2,1-2H3
InChIKeyKDYYZOCGRQAEIN-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898
4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61221311
4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 113288423
5-chloro-N-(1-ethoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608286
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 106158302
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246458
3-chloro-4-cyano-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 112686588
4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103861314
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
4-bromo-2,6-dichloro-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106228954

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide (CID 47957290) is 4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide is CCOCC(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide?
The InChIKey is KDYYZOCGRQAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO3S/c1-3-18-6-7(2)15-19(16,17)11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,3,6H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide has a molecular weight of 391.11 g/mol, XLogP of 3.46, 6 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-(1-ethoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 47957290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).