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

C13H11Br2ClN2O2S — CID 107624523

IUPAC4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2c(Br)cc(N)cc2Br)c1
InChIInChI=1S/C13H11Br2ClN2O2S/c1-7-2-3-11(16)12(4-7)18-21(19,20)13-9(14)5-8(17)6-10(13)15/h2-6,18H,17H2,1H3
InChIKeyWEQUDLNRBSZAMK-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.56
Rot. Bonds3

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

4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide (PubChem CID 107624523) has the molecular formula C13H11Br2ClN2O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
PubChem CID107624523
Molecular FormulaC13H11Br2ClN2O2S
Molecular Weight454.57 g/mol
Exact Mass451.86
IUPAC Name4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2c(Br)cc(N)cc2Br)c1
InChIInChI=1S/C13H11Br2ClN2O2S/c1-7-2-3-11(16)12(4-7)18-21(19,20)13-9(14)5-8(17)6-10(13)15/h2-6,18H,17H2,1H3
InChIKeyWEQUDLNRBSZAMK-UHFFFAOYSA-N
XLogP4.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.56
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-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
CID 43258925
2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
1-chloro-4-methyl-2-(sulfamoylamino)benzene
CID 107638348
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171459
N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide
CID 61013622
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide (CID 107624523) is 4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide is Cc1ccc(Cl)c(NS(=O)(=O)c2c(Br)cc(N)cc2Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide?
The InChIKey is WEQUDLNRBSZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2O2S/c1-7-2-3-11(16)12(4-7)18-21(19,20)13-9(14)5-8(17)6-10(13)15/h2-6,18H,17H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide has a molecular weight of 454.57 g/mol, XLogP of 4.56, 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-chloro-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 107624523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).