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

C12H9BrCl2N2O2S — CID 43344070

IUPACN-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
SMILESNc1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c13-7-1-4-12(11(16)5-7)17-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,17H,16H2
InChIKeyYITIGDWDFUNPOO-UHFFFAOYSA-N
MW396.09 g/mol
LogP4.14
Rot. Bonds3

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

N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 43344070) has the molecular formula C12H9BrCl2N2O2S and a molecular weight of 396.09 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
PubChem CID43344070
Molecular FormulaC12H9BrCl2N2O2S
Molecular Weight396.09 g/mol
Exact Mass393.89
IUPAC NameN-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
SMILESNc1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c13-7-1-4-12(11(16)5-7)17-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,17H,16H2
InChIKeyYITIGDWDFUNPOO-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

N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 107697982
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide
CID 29008434
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide
CID 3865919
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide (CID 43344070) is N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide is Nc1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is YITIGDWDFUNPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2S/c13-7-1-4-12(11(16)5-7)17-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,17H,16H2.
What are the key properties of N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide?
N-(2-amino-4-bromophenyl)-3,4-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 N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 43344070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).