N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide

C12H9Br3N2O2S — CID 43550498

IUPACN-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
SMILESNc1cc(Br)c(NS(=O)(=O)c2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C12H9Br3N2O2S/c13-7-1-3-9(4-2-7)20(18,19)17-12-10(14)5-8(16)6-11(12)15/h1-6,17H,16H2
InChIKeyUDUCSMSIPSKJBO-UHFFFAOYSA-N
MW485.00 g/mol
LogP4.36
Rot. Bonds3

About N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide

N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide (PubChem CID 43550498) has the molecular formula C12H9Br3N2O2S and a molecular weight of 485.00 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
PubChem CID43550498
Molecular FormulaC12H9Br3N2O2S
Molecular Weight485.00 g/mol
Exact Mass481.79
IUPAC NameN-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
SMILESNc1cc(Br)c(NS(=O)(=O)c2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C12H9Br3N2O2S/c13-7-1-3-9(4-2-7)20(18,19)17-12-10(14)5-8(16)6-11(12)15/h1-6,17H,16H2
InChIKeyUDUCSMSIPSKJBO-UHFFFAOYSA-N
XLogP4.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 54.36
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

N-(4-amino-2-bromo-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828238
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 65481192
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
4-amino-2,6-dibromo-N-(4-bromophenyl)benzenesulfonamide
CID 43257559
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide (CID 43550498) is N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide is Nc1cc(Br)c(NS(=O)(=O)c2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide?
The InChIKey is UDUCSMSIPSKJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3N2O2S/c13-7-1-3-9(4-2-7)20(18,19)17-12-10(14)5-8(16)6-11(12)15/h1-6,17H,16H2.
What are the key properties of N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide?
N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide has a molecular weight of 485.00 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide is sourced from PubChem (CID 43550498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).