2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide

C14H12Br3NO2S — CID 82746274

IUPAC2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(Br)c(C)cc2Br)c1
InChIInChI=1S/C14H12Br3NO2S/c1-8-3-4-10(15)13(5-8)18-21(19,20)14-7-11(16)9(2)6-12(14)17/h3-7,18H,1-2H3
InChIKeyLFZYXYBVTDZSJA-UHFFFAOYSA-N
MW498.03 g/mol
LogP5.39
Rot. Bonds3

About 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 82746274) has the molecular formula C14H12Br3NO2S and a molecular weight of 498.03 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID82746274
Molecular FormulaC14H12Br3NO2S
Molecular Weight498.03 g/mol
Exact Mass494.81
IUPAC Name2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(Br)c(C)cc2Br)c1
InChIInChI=1S/C14H12Br3NO2S/c1-8-3-4-10(15)13(5-8)18-21(19,20)14-7-11(16)9(2)6-12(14)17/h3-7,18H,1-2H3
InChIKeyLFZYXYBVTDZSJA-UHFFFAOYSA-N
XLogP5.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81428591
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
2,5-dibromo-N-(2,4-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427013
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
2,5-dibromo-N-(4-iodophenyl)-4-methylbenzenesulfonamide
CID 81327829

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide (CID 82746274) is 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2cc(Br)c(C)cc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is LFZYXYBVTDZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NO2S/c1-8-3-4-10(15)13(5-8)18-21(19,20)14-7-11(16)9(2)6-12(14)17/h3-7,18H,1-2H3.
What are the key properties of 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 498.03 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 82746274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).