2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide

C14H14Br2N2O2S — CID 43257318

IUPAC2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2c(N)cc(Br)cc2Br)c1
InChIInChI=1S/C14H14Br2N2O2S/c1-8-3-4-9(2)13(5-8)18-21(19,20)14-11(16)6-10(15)7-12(14)17/h3-7,18H,17H2,1-2H3
InChIKeyRDWXLQABYUUXFY-UHFFFAOYSA-N
MW434.15 g/mol
LogP4.21
Rot. Bonds3

About 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide

2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide (PubChem CID 43257318) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide
PubChem CID43257318
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2c(N)cc(Br)cc2Br)c1
InChIInChI=1S/C14H14Br2N2O2S/c1-8-3-4-9(2)13(5-8)18-21(19,20)14-11(16)6-10(15)7-12(14)17/h3-7,18H,17H2,1-2H3
InChIKeyRDWXLQABYUUXFY-UHFFFAOYSA-N
XLogP4.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251819
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide (CID 43257318) is 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2c(N)cc(Br)cc2Br)c1.
What is the InChIKey of 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is RDWXLQABYUUXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-8-3-4-9(2)13(5-8)18-21(19,20)14-11(16)6-10(15)7-12(14)17/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 43257318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).