2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide

C12H9Cl2FN2O2S — CID 28938069

IUPAC2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O2S/c13-7-1-4-12(11(16)5-7)20(18,19)17-8-2-3-10(15)9(14)6-8/h1-6,17H,16H2
InChIKeyAJXGWXIBXIXKII-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.52
Rot. Bonds3

About 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide

2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide (PubChem CID 28938069) has the molecular formula C12H9Cl2FN2O2S and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
PubChem CID28938069
Molecular FormulaC12H9Cl2FN2O2S
Molecular Weight335.19 g/mol
Exact Mass333.97
IUPAC Name2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O2S/c13-7-1-4-12(11(16)5-7)20(18,19)17-8-2-3-10(15)9(14)6-8/h1-6,17H,16H2
InChIKeyAJXGWXIBXIXKII-UHFFFAOYSA-N
XLogP3.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.52
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-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 28549919
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
2-amino-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107571310
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
N-(3-chloro-4-fluorophenyl)sulfamoyl chloride
CID 84760554
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide (CID 28938069) is 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The InChIKey is AJXGWXIBXIXKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2S/c13-7-1-4-12(11(16)5-7)20(18,19)17-8-2-3-10(15)9(14)6-8/h1-6,17H,16H2.
What are the key properties of 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide has a molecular weight of 335.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 28938069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).