4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide

C12H8Br2Cl2N2O2S — CID 61471931

IUPAC4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2Br)c(Cl)c1
InChIInChI=1S/C12H8Br2Cl2N2O2S/c13-6-1-2-11(8(14)3-6)18-21(19,20)12-9(15)4-7(17)5-10(12)16/h1-5,18H,17H2
InChIKeyDCVRVPJGGOACJH-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.90
Rot. Bonds3

About 4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide (PubChem CID 61471931) has the molecular formula C12H8Br2Cl2N2O2S and a molecular weight of 474.99 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
PubChem CID61471931
Molecular FormulaC12H8Br2Cl2N2O2S
Molecular Weight474.99 g/mol
Exact Mass471.81
IUPAC Name4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2Br)c(Cl)c1
InChIInChI=1S/C12H8Br2Cl2N2O2S/c13-6-1-2-11(8(14)3-6)18-21(19,20)12-9(15)4-7(17)5-10(12)16/h1-5,18H,17H2
InChIKeyDCVRVPJGGOACJH-UHFFFAOYSA-N
XLogP4.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.90
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-(4-bromo-2-chlorophenyl)benzenesulfonamide
CID 43258925
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107624642
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
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-(2,4-dibromophenyl)benzenesulfonamide
CID 61471964
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide (CID 61471931) is 4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2Br)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide?
The InChIKey is DCVRVPJGGOACJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2Cl2N2O2S/c13-6-1-2-11(8(14)3-6)18-21(19,20)12-9(15)4-7(17)5-10(12)16/h1-5,18H,17H2.
What are the key properties of 4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide has a molecular weight of 474.99 g/mol, XLogP of 4.90, 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-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide is sourced from PubChem (CID 61471931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).