4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide

C14H12BrCl2NO2S — CID 60639715

IUPAC4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H12BrCl2NO2S/c1-2-18(11-6-4-3-5-7-11)21(19,20)14-12(16)8-10(15)9-13(14)17/h3-9H,2H2,1H3
InChIKeyORMCYNCWMGANNF-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.97
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide

4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide (PubChem CID 60639715) has the molecular formula C14H12BrCl2NO2S and a molecular weight of 409.13 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
PubChem CID60639715
Molecular FormulaC14H12BrCl2NO2S
Molecular Weight409.13 g/mol
Exact Mass406.91
IUPAC Name4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H12BrCl2NO2S/c1-2-18(11-6-4-3-5-7-11)21(19,20)14-12(16)8-10(15)9-13(14)17/h3-9H,2H2,1H3
InChIKeyORMCYNCWMGANNF-UHFFFAOYSA-N
XLogP4.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.13
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817485
N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
2-bromo-N-ethyl-4,5-dimethoxy-N-phenylbenzenesulfonamide
CID 9055831
5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
CID 64608514
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
4-bromo-2,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 30329132
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 34495212

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide (CID 60639715) is 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
The InChIKey is ORMCYNCWMGANNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO2S/c1-2-18(11-6-4-3-5-7-11)21(19,20)14-12(16)8-10(15)9-13(14)17/h3-9H,2H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide has a molecular weight of 409.13 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 60639715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).