N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide

C18H20FNO2S2 — CID 129079516

IUPACN-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1c(F)cccc1Sc1ccccc1C=O
InChIInChI=1S/C18H20FNO2S2/c1-18(2,3)24(22)20-11-14-15(19)8-6-10-17(14)23-16-9-5-4-7-13(16)12-21/h4-10,12,20H,11H2,1-3H3
InChIKeyRJMQBIJVEVAXAC-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.34
Rot. Bonds6

About N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide

N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 129079516) has the molecular formula C18H20FNO2S2 and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID129079516
Molecular FormulaC18H20FNO2S2
Molecular Weight365.50 g/mol
Exact Mass365.09
IUPAC NameN-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1c(F)cccc1Sc1ccccc1C=O
InChIInChI=1S/C18H20FNO2S2/c1-18(2,3)24(22)20-11-14-15(19)8-6-10-17(14)23-16-9-5-4-7-13(16)12-21/h4-10,12,20H,11H2,1-3H3
InChIKeyRJMQBIJVEVAXAC-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluoro-2-formyl-phenylsulfanyl)-N,N-dimethyl-benzamide
CID 19822425
2-ethylsulfinyl-N-[(4-fluorophenyl)methyl]benzamide
CID 8096432
2-Tert-butylsulfinyl-6-fluorobenzamide
CID 18972674
2-[2-(Aminomethyl)-4-fluorophenyl]sulfanylbenzaldehyde
CID 129078854
2-[2-(Aminomethyl)-5-(trifluoromethyl)phenyl]sulfanylbenzaldehyde
CID 129078878
N-[[2-(2-formylphenyl)sulfanyl-4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide
CID 129079066
2-[2-(Aminomethyl)-6-fluorophenyl]sulfanylbenzaldehyde
CID 129079119
2-[2-(Aminomethyl)-3-fluorophenyl]sulfanylbenzaldehyde
CID 129079159
2-[2-(Aminomethyl)-4-(trifluoromethyl)phenyl]sulfanylbenzaldehyde
CID 129079201
N-[[2-(2-formylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide
CID 129079287
N-[[5-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide
CID 129079312
N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide
CID 129079377

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide (CID 129079516) is N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NCc1c(F)cccc1Sc1ccccc1C=O.
What is the InChIKey of N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RJMQBIJVEVAXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S2/c1-18(2,3)24(22)20-11-14-15(19)8-6-10-17(14)23-16-9-5-4-7-13(16)12-21/h4-10,12,20H,11H2,1-3H3.
What are the key properties of N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide?
N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 365.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 129079516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).