N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide

C12H9BrCl2N2O2S — CID 106604917

IUPACN-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c13-9-6-8(2-3-10(9)14)20(18,19)17-12-4-1-7(16)5-11(12)15/h1-6,17H,16H2
InChIKeyKXMVETWVNJYRIQ-UHFFFAOYSA-N
MW396.09 g/mol
LogP4.14
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide

N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide (PubChem CID 106604917) has the molecular formula C12H9BrCl2N2O2S and a molecular weight of 396.09 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
PubChem CID106604917
Molecular FormulaC12H9BrCl2N2O2S
Molecular Weight396.09 g/mol
Exact Mass393.89
IUPAC NameN-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2O2S/c13-9-6-8(2-3-10(9)14)20(18,19)17-12-4-1-7(16)5-11(12)15/h1-6,17H,16H2
InChIKeyKXMVETWVNJYRIQ-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-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
CID 43550719
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605012
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 106606177
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide (CID 106604917) is N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide?
The InChIKey is KXMVETWVNJYRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2S/c13-9-6-8(2-3-10(9)14)20(18,19)17-12-4-1-7(16)5-11(12)15/h1-6,17H,16H2.
What are the key properties of N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide?
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide 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-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106604917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).