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

C12H9Cl2FN2O2S — CID 43256034

IUPAC2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C12H9Cl2FN2O2S/c13-7-5-8(14)12(10(16)6-7)20(18,19)17-11-4-2-1-3-9(11)15/h1-6,17H,16H2
InChIKeyFDVLWXONAYENFC-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.52
Rot. Bonds3

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

2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 43256034) has the molecular formula C12H9Cl2FN2O2S and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID43256034
Molecular FormulaC12H9Cl2FN2O2S
Molecular Weight335.19 g/mol
Exact Mass333.97
IUPAC Name2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C12H9Cl2FN2O2S/c13-7-5-8(14)12(10(16)6-7)20(18,19)17-11-4-2-1-3-9(11)15/h1-6,17H,16H2
InChIKeyFDVLWXONAYENFC-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide (CID 43256034) is 2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is FDVLWXONAYENFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2S/c13-7-5-8(14)12(10(16)6-7)20(18,19)17-11-4-2-1-3-9(11)15/h1-6,17H,16H2.
What are the key properties of 2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(2-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-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 43256034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).