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

C13H11Cl2FN2O2S — CID 43256022

IUPAC2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H11Cl2FN2O2S/c14-9-5-11(15)13(12(17)6-9)21(19,20)18-7-8-1-3-10(16)4-2-8/h1-6,18H,7,17H2
InChIKeyQIJAGKLABIYQSH-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.19
Rot. Bonds4

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

2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 43256022) has the molecular formula C13H11Cl2FN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID43256022
Molecular FormulaC13H11Cl2FN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.99
IUPAC Name2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H11Cl2FN2O2S/c14-9-5-11(15)13(12(17)6-9)21(19,20)18-7-8-1-3-10(16)4-2-8/h1-6,18H,7,17H2
InChIKeyQIJAGKLABIYQSH-UHFFFAOYSA-N
XLogP3.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.19
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-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 43256022) is 2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is QIJAGKLABIYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O2S/c14-9-5-11(15)13(12(17)6-9)21(19,20)18-7-8-1-3-10(16)4-2-8/h1-6,18H,7,17H2.
What are the key properties of 2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 349.21 g/mol, XLogP of 3.19, 4 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-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 43256022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).