1-(2-fluorophenyl)-N-hydroxymethanesulfinamide

C7H8FNO2S — CID 138659148

IUPAC1-(2-fluorophenyl)-N-hydroxymethanesulfinamide
SMILESO=S(Cc1ccccc1F)NO
InChIInChI=1S/C7H8FNO2S/c8-7-4-2-1-3-6(7)5-12(11)9-10/h1-4,9-10H,5H2
InChIKeyBASMFJFKTPJKDM-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.97
Rot. Bonds3

About 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide

1-(2-fluorophenyl)-N-hydroxymethanesulfinamide (PubChem CID 138659148) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-hydroxymethanesulfinamide
PubChem CID138659148
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name1-(2-fluorophenyl)-N-hydroxymethanesulfinamide
SMILESO=S(Cc1ccccc1F)NO
InChIInChI=1S/C7H8FNO2S/c8-7-4-2-1-3-6(7)5-12(11)9-10/h1-4,9-10H,5H2
InChIKeyBASMFJFKTPJKDM-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluorophenyl)methylsulfinyl]propanoic acid
CID 60982003
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889
2-[(2-fluorophenyl)methylsulfinyl]-N-propylacetamide
CID 47022799
(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
CID 95599409
2-[(2-fluorophenyl)methylamino]acetyl iodide
CID 122663057
azane;1-ethyl-2-fluorobenzene
CID 66657049
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1-benzylsulfinyl-3-(2-fluorophenyl)propan-2-one
CID 64638454
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
(2-fluorophenyl)methylphosphonic acid
CID 14926086
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide?
The IUPAC name of 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide (CID 138659148) is 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide is O=S(Cc1ccccc1F)NO.
What is the InChIKey of 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide?
The InChIKey is BASMFJFKTPJKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c8-7-4-2-1-3-6(7)5-12(11)9-10/h1-4,9-10H,5H2.
What are the key properties of 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide?
1-(2-fluorophenyl)-N-hydroxymethanesulfinamide has a molecular weight of 189.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-hydroxymethanesulfinamide is sourced from PubChem (CID 138659148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).