2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide

C14H12Br3NO2S — CID 81288953

IUPAC2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br3NO2S/c1-2-9-7-10(15)3-5-13(9)18-21(19,20)14-6-4-11(16)8-12(14)17/h3-8,18H,2H2,1H3
InChIKeyRNEHXNYTGHPKOO-UHFFFAOYSA-N
MW498.03 g/mol
LogP5.34
Rot. Bonds4

About 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide

2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide (PubChem CID 81288953) has the molecular formula C14H12Br3NO2S and a molecular weight of 498.03 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
PubChem CID81288953
Molecular FormulaC14H12Br3NO2S
Molecular Weight498.03 g/mol
Exact Mass494.81
IUPAC Name2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br3NO2S/c1-2-9-7-10(15)3-5-13(9)18-21(19,20)14-6-4-11(16)8-12(14)17/h3-8,18H,2H2,1H3
InChIKeyRNEHXNYTGHPKOO-UHFFFAOYSA-N
XLogP5.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335
3-[(4-bromo-2-ethylphenyl)sulfamoyl]propanoic acid
CID 81292251
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
CID 61061862
2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 113257792
4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide
CID 3771585
4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
CID 81291679
N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106073390

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide (CID 81288953) is 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide?
The InChIKey is RNEHXNYTGHPKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NO2S/c1-2-9-7-10(15)3-5-13(9)18-21(19,20)14-6-4-11(16)8-12(14)17/h3-8,18H,2H2,1H3.
What are the key properties of 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide?
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide has a molecular weight of 498.03 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 81288953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).