2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide

C12H9Cl2FN2O2S — CID 28550880

IUPAC2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O2S/c13-7-3-8(14)5-10(4-7)17-20(18,19)12-2-1-9(15)6-11(12)16/h1-6,17H,16H2
InChIKeySVBALFMRDAUHGE-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.52
Rot. Bonds3

About 2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide

2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 28550880) has the molecular formula C12H9Cl2FN2O2S and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
PubChem CID28550880
Molecular FormulaC12H9Cl2FN2O2S
Molecular Weight335.19 g/mol
Exact Mass333.97
IUPAC Name2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O2S/c13-7-3-8(14)5-10(4-7)17-20(18,19)12-2-1-9(15)6-11(12)16/h1-6,17H,16H2
InChIKeySVBALFMRDAUHGE-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-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide (CID 28550880) is 2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is SVBALFMRDAUHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2S/c13-7-3-8(14)5-10(4-7)17-20(18,19)12-2-1-9(15)6-11(12)16/h1-6,17H,16H2.
What are the key properties of 2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
2-amino-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide 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-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 28550880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).