N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide

C15H14FNO2S — CID 145238935

IUPACN-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide
SMILESCS(=O)N(Cc1ccc(C=O)cc1F)c1ccccc1
InChIInChI=1S/C15H14FNO2S/c1-20(19)17(14-5-3-2-4-6-14)10-13-8-7-12(11-18)9-15(13)16/h2-9,11H,10H2,1H3
InChIKeyWRXMPBPPOIFHFL-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.94
Rot. Bonds5

About N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide

N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide (PubChem CID 145238935) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide
PubChem CID145238935
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC NameN-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide
SMILESCS(=O)N(Cc1ccc(C=O)cc1F)c1ccccc1
InChIInChI=1S/C15H14FNO2S/c1-20(19)17(14-5-3-2-4-6-14)10-13-8-7-12(11-18)9-15(13)16/h2-9,11H,10H2,1H3
InChIKeyWRXMPBPPOIFHFL-UHFFFAOYSA-N
XLogP2.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide?
The IUPAC name of N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide (CID 145238935) is N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide.
What is the SMILES notation for N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide?
The canonical SMILES for N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide is CS(=O)N(Cc1ccc(C=O)cc1F)c1ccccc1.
What is the InChIKey of N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide?
The InChIKey is WRXMPBPPOIFHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-20(19)17(14-5-3-2-4-6-14)10-13-8-7-12(11-18)9-15(13)16/h2-9,11H,10H2,1H3.
What are the key properties of N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide?
N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide has a molecular weight of 291.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide is sourced from PubChem (CID 145238935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).