5-amino-2-chloro-4-fluorobenzenesulfonamide

C6H6ClFN2O2S — CID 13045545

IUPAC5-amino-2-chloro-4-fluorobenzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C6H6ClFN2O2S/c7-3-1-4(8)5(9)2-6(3)13(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyTXBDAHLPHMWZPE-UHFFFAOYSA-N
MW224.64 g/mol
LogP0.71
Rot. Bonds1

About 5-amino-2-chloro-4-fluorobenzenesulfonamide

5-amino-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 13045545) has the molecular formula C6H6ClFN2O2S and a molecular weight of 224.64 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluorobenzenesulfonamide
PubChem CID13045545
Molecular FormulaC6H6ClFN2O2S
Molecular Weight224.64 g/mol
Exact Mass223.98
IUPAC Name5-amino-2-chloro-4-fluorobenzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)c(Cl)cc1F
InChIInChI=1S/C6H6ClFN2O2S/c7-3-1-4(8)5(9)2-6(3)13(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyTXBDAHLPHMWZPE-UHFFFAOYSA-N
XLogP0.71
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 50.71
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 5-amino-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluorobenzenesulfonamide (CID 13045545) is 5-amino-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluorobenzenesulfonamide is Nc1cc(S(N)(=O)=O)c(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is TXBDAHLPHMWZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O2S/c7-3-1-4(8)5(9)2-6(3)13(10,11)12/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 5-amino-2-chloro-4-fluorobenzenesulfonamide?
5-amino-2-chloro-4-fluorobenzenesulfonamide has a molecular weight of 224.64 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 13045545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).