[(2-fluorobenzoyl)amino]methanesulfinate

C8H7FNO3S- — CID 174890470

IUPAC[(2-fluorobenzoyl)amino]methanesulfinate
SMILESO=C(NCS(=O)[O-])c1ccccc1F
InChIInChI=1S/C8H8FNO3S/c9-7-4-2-1-3-6(7)8(11)10-5-14(12)13/h1-4H,5H2,(H,10,11)(H,12,13)/p-1
InChIKeyOSJRYYVOGDWANW-UHFFFAOYSA-M
MW216.21 g/mol
LogP0.39
Rot. Bonds3

About [(2-fluorobenzoyl)amino]methanesulfinate

[(2-fluorobenzoyl)amino]methanesulfinate (PubChem CID 174890470) has the molecular formula C8H7FNO3S- and a molecular weight of 216.21 g/mol. Its IUPAC name is [(2-fluorobenzoyl)amino]methanesulfinate.

Molecular Properties

Compound Name[(2-fluorobenzoyl)amino]methanesulfinate
PubChem CID174890470
Molecular FormulaC8H7FNO3S-
Molecular Weight216.21 g/mol
Exact Mass216.01
IUPAC Name[(2-fluorobenzoyl)amino]methanesulfinate
SMILESO=C(NCS(=O)[O-])c1ccccc1F
InChIInChI=1S/C8H8FNO3S/c9-7-4-2-1-3-6(7)8(11)10-5-14(12)13/h1-4H,5H2,(H,10,11)(H,12,13)/p-1
InChIKeyOSJRYYVOGDWANW-UHFFFAOYSA-M
XLogP0.39
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-fluorobenzoyl)amino]methanesulfinate?
The IUPAC name of [(2-fluorobenzoyl)amino]methanesulfinate (CID 174890470) is [(2-fluorobenzoyl)amino]methanesulfinate.
What is the SMILES notation for [(2-fluorobenzoyl)amino]methanesulfinate?
The canonical SMILES for [(2-fluorobenzoyl)amino]methanesulfinate is O=C(NCS(=O)[O-])c1ccccc1F.
What is the InChIKey of [(2-fluorobenzoyl)amino]methanesulfinate?
The InChIKey is OSJRYYVOGDWANW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8FNO3S/c9-7-4-2-1-3-6(7)8(11)10-5-14(12)13/h1-4H,5H2,(H,10,11)(H,12,13)/p-1.
What are the key properties of [(2-fluorobenzoyl)amino]methanesulfinate?
[(2-fluorobenzoyl)amino]methanesulfinate has a molecular weight of 216.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluorobenzoyl)amino]methanesulfinate is sourced from PubChem (CID 174890470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).