5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol

C15H9ClFNO2S — CID 135815561

IUPAC5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol
SMILES[H]/N=C(/C1=C(O)c2cc(Cl)ccc2S1=O)c1ccccc1F
InChIInChI=1S/C15H9ClFNO2S/c16-8-5-6-12-10(7-8)14(19)15(21(12)20)13(18)9-3-1-2-4-11(9)17/h1-7,18-19H/b18-13+
InChIKeyKGSZVPJHAJTKRY-QGOAFFKASA-N
MW321.76 g/mol
LogP3.89
Rot. Bonds2

About 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol

5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol (PubChem CID 135815561) has the molecular formula C15H9ClFNO2S and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol.

Molecular Properties

Compound Name5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol
PubChem CID135815561
Molecular FormulaC15H9ClFNO2S
Molecular Weight321.76 g/mol
Exact Mass321.00
IUPAC Name5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol
SMILES[H]/N=C(/C1=C(O)c2cc(Cl)ccc2S1=O)c1ccccc1F
InChIInChI=1S/C15H9ClFNO2S/c16-8-5-6-12-10(7-8)14(19)15(21(12)20)13(18)9-3-1-2-4-11(9)17/h1-7,18-19H/b18-13+
InChIKeyKGSZVPJHAJTKRY-QGOAFFKASA-N
XLogP3.89
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chlorodibenzothiophene 5-oxide
CID 155771931
(2-fluorophenyl)-(2,4,6-trimethylphenyl)methanimine
CID 11615657
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CID 531935
5-chloro-2-fluorobenzoyl chloride
CID 2773604
2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline
CID 142255330
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
5-chloro-2-(2-fluorophenyl)phenol
CID 46314337
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
2-(2-fluorophenyl)benzenecarboximidoyl chloride
CID 22419529
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol?
The IUPAC name of 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol (CID 135815561) is 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol.
What is the SMILES notation for 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol?
The canonical SMILES for 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol is [H]/N=C(/C1=C(O)c2cc(Cl)ccc2S1=O)c1ccccc1F.
What is the InChIKey of 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol?
The InChIKey is KGSZVPJHAJTKRY-QGOAFFKASA-N. The full InChI is InChI=1S/C15H9ClFNO2S/c16-8-5-6-12-10(7-8)14(19)15(21(12)20)13(18)9-3-1-2-4-11(9)17/h1-7,18-19H/b18-13+.
What are the key properties of 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol?
5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol has a molecular weight of 321.76 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol is sourced from PubChem (CID 135815561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).