2-amino-5-fluorobenzenesulfinamide

C6H7FN2OS — CID 142349691

IUPAC2-amino-5-fluorobenzenesulfinamide
SMILESNc1ccc(F)cc1S(N)=O
InChIInChI=1S/C6H7FN2OS/c7-4-1-2-5(8)6(3-4)11(9)10/h1-3H,8-9H2
InChIKeyCVBNYHZCMXDEJU-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.39
Rot. Bonds1

About 2-amino-5-fluorobenzenesulfinamide

2-amino-5-fluorobenzenesulfinamide (PubChem CID 142349691) has the molecular formula C6H7FN2OS and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-amino-5-fluorobenzenesulfinamide.

Molecular Properties

Compound Name2-amino-5-fluorobenzenesulfinamide
PubChem CID142349691
Molecular FormulaC6H7FN2OS
Molecular Weight174.20 g/mol
Exact Mass174.03
IUPAC Name2-amino-5-fluorobenzenesulfinamide
SMILESNc1ccc(F)cc1S(N)=O
InChIInChI=1S/C6H7FN2OS/c7-4-1-2-5(8)6(3-4)11(9)10/h1-3H,8-9H2
InChIKeyCVBNYHZCMXDEJU-UHFFFAOYSA-N
XLogP0.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-5-fluorobenzenesulfinamide?
The IUPAC name of 2-amino-5-fluorobenzenesulfinamide (CID 142349691) is 2-amino-5-fluorobenzenesulfinamide.
What is the SMILES notation for 2-amino-5-fluorobenzenesulfinamide?
The canonical SMILES for 2-amino-5-fluorobenzenesulfinamide is Nc1ccc(F)cc1S(N)=O.
What is the InChIKey of 2-amino-5-fluorobenzenesulfinamide?
The InChIKey is CVBNYHZCMXDEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2OS/c7-4-1-2-5(8)6(3-4)11(9)10/h1-3H,8-9H2.
What are the key properties of 2-amino-5-fluorobenzenesulfinamide?
2-amino-5-fluorobenzenesulfinamide has a molecular weight of 174.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluorobenzenesulfinamide is sourced from PubChem (CID 142349691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).