4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide

C13H11Br3N2O2S — CID 43258134

IUPAC4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(Br)cc(N)cc2Br)c(Br)c1
InChIInChI=1S/C13H11Br3N2O2S/c1-7-2-3-12(9(14)4-7)18-21(19,20)13-10(15)5-8(17)6-11(13)16/h2-6,18H,17H2,1H3
InChIKeyURRMWWPPNSGAOW-UHFFFAOYSA-N
MW499.02 g/mol
LogP4.67
Rot. Bonds3

About 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide

4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide (PubChem CID 43258134) has the molecular formula C13H11Br3N2O2S and a molecular weight of 499.02 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
PubChem CID43258134
Molecular FormulaC13H11Br3N2O2S
Molecular Weight499.02 g/mol
Exact Mass495.81
IUPAC Name4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(Br)cc(N)cc2Br)c(Br)c1
InChIInChI=1S/C13H11Br3N2O2S/c1-7-2-3-12(9(14)4-7)18-21(19,20)13-10(15)5-8(17)6-11(13)16/h2-6,18H,17H2,1H3
InChIKeyURRMWWPPNSGAOW-UHFFFAOYSA-N
XLogP4.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.02
LogP ≤ 54.67
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

4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
CID 43258925
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 43257318
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 26979452
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide (CID 43258134) is 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(Br)cc(N)cc2Br)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide?
The InChIKey is URRMWWPPNSGAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3N2O2S/c1-7-2-3-12(9(14)4-7)18-21(19,20)13-10(15)5-8(17)6-11(13)16/h2-6,18H,17H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide has a molecular weight of 499.02 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 43258134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).