2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide

C12H8Cl4N2O2S — CID 43256363

IUPAC2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl4N2O2S/c13-6-1-2-11(8(15)3-6)18-21(19,20)12-9(16)4-7(14)5-10(12)17/h1-5,18H,17H2
InChIKeyKJGGYFBIMAKXHL-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.68
Rot. Bonds3

About 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide (PubChem CID 43256363) has the molecular formula C12H8Cl4N2O2S and a molecular weight of 386.09 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
PubChem CID43256363
Molecular FormulaC12H8Cl4N2O2S
Molecular Weight386.09 g/mol
Exact Mass383.91
IUPAC Name2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl4N2O2S/c13-6-1-2-11(8(15)3-6)18-21(19,20)12-9(16)4-7(14)5-10(12)17/h1-5,18H,17H2
InChIKeyKJGGYFBIMAKXHL-UHFFFAOYSA-N
XLogP4.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.68
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

2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide
CID 43555514
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705
2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43256321
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452452
4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107624642
2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
CID 43256148
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
5-amino-N-(2,4-dichlorophenyl)-2-ethylbenzenesulfonamide
CID 43256364

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide (CID 43256363) is 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide?
The InChIKey is KJGGYFBIMAKXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N2O2S/c13-6-1-2-11(8(15)3-6)18-21(19,20)12-9(16)4-7(14)5-10(12)17/h1-5,18H,17H2.
What are the key properties of 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide has a molecular weight of 386.09 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 43256363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).