4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide

C12H9BrCl2N2O2S — CID 43257573

IUPAC4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c13-7-2-1-3-9(4-7)17-20(18,19)12-10(14)5-8(16)6-11(12)15/h1-6,17H,16H2
InChIKeyAFJSNEPJYBSPJV-UHFFFAOYSA-N
MW396.09 g/mol
LogP4.14
Rot. Bonds3

About 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide

4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide (PubChem CID 43257573) has the molecular formula C12H9BrCl2N2O2S and a molecular weight of 396.09 g/mol. Its IUPAC name is 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
PubChem CID43257573
Molecular FormulaC12H9BrCl2N2O2S
Molecular Weight396.09 g/mol
Exact Mass393.89
IUPAC Name4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c13-7-2-1-3-9(4-7)17-20(18,19)12-10(14)5-8(16)6-11(12)15/h1-6,17H,16H2
InChIKeyAFJSNEPJYBSPJV-UHFFFAOYSA-N
XLogP4.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.09
LogP ≤ 54.14
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-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
N-[3-(aminomethyl)phenyl]-4-bromo-2,6-dichlorobenzenesulfonamide
CID 63254778
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387
4-bromo-N-(3-bromophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 5092209
4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
CID 43257455
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79234681
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
3-bromoaniline;N-(3-bromophenyl)methanesulfonamide;methanesulfonyl chloride
CID 159407379
4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide
CID 43257495

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide (CID 43257573) is 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)Nc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide?
The InChIKey is AFJSNEPJYBSPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2S/c13-7-2-1-3-9(4-7)17-20(18,19)12-10(14)5-8(16)6-11(12)15/h1-6,17H,16H2.
What are the key properties of 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide?
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide has a molecular weight of 396.09 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 43257573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).