N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide

C12H9Br2ClN2O2S — CID 43550694

IUPACN-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9Br2ClN2O2S/c13-7-5-10(14)12(11(16)6-7)17-20(18,19)9-3-1-8(15)2-4-9/h1-6,17H,16H2
InChIKeyIHKANDMWISACLO-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.25
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide

N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide (PubChem CID 43550694) has the molecular formula C12H9Br2ClN2O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
PubChem CID43550694
Molecular FormulaC12H9Br2ClN2O2S
Molecular Weight440.54 g/mol
Exact Mass437.84
IUPAC NameN-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9Br2ClN2O2S/c13-7-5-10(14)12(11(16)6-7)17-20(18,19)9-3-1-8(15)2-4-9/h1-6,17H,16H2
InChIKeyIHKANDMWISACLO-UHFFFAOYSA-N
XLogP4.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.25
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-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
CID 43550659
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
CID 43550498
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705
4-(bromomethyl)-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 65481192
N-(2-amino-6-fluorophenyl)-4-chlorobenzenesulfonamide
CID 81311013
N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 43551010
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide (CID 43550694) is N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide is Nc1cc(Br)cc(Br)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide?
The InChIKey is IHKANDMWISACLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O2S/c13-7-5-10(14)12(11(16)6-7)17-20(18,19)9-3-1-8(15)2-4-9/h1-6,17H,16H2.
What are the key properties of N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide?
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide has a molecular weight of 440.54 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 43550694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).