2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide

C12H7Br2Cl2NO2S — CID 61216757

IUPAC2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br2Cl2NO2S/c13-7-4-5-11(8(14)6-7)20(18,19)17-12-9(15)2-1-3-10(12)16/h1-6,17H
InChIKeyOYBLNVOSIUMDQG-UHFFFAOYSA-N
MW459.97 g/mol
LogP5.32
Rot. Bonds3

About 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide

2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide (PubChem CID 61216757) has the molecular formula C12H7Br2Cl2NO2S and a molecular weight of 459.97 g/mol. Its IUPAC name is 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
PubChem CID61216757
Molecular FormulaC12H7Br2Cl2NO2S
Molecular Weight459.97 g/mol
Exact Mass456.79
IUPAC Name2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br2Cl2NO2S/c13-7-4-5-11(8(14)6-7)20(18,19)17-12-9(15)2-1-3-10(12)16/h1-6,17H
InChIKeyOYBLNVOSIUMDQG-UHFFFAOYSA-N
XLogP5.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.97
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 61036715
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 65498877

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide (CID 61216757) is 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide?
The InChIKey is OYBLNVOSIUMDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2Cl2NO2S/c13-7-4-5-11(8(14)6-7)20(18,19)17-12-9(15)2-1-3-10(12)16/h1-6,17H.
What are the key properties of 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide?
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide has a molecular weight of 459.97 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 61216757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).