N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide

C18H20FNO2S2 — CID 129079377

IUPACN-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1cccc(F)c1Sc1ccccc1C=O
InChIInChI=1S/C18H20FNO2S2/c1-18(2,3)24(22)20-11-13-8-6-9-15(19)17(13)23-16-10-5-4-7-14(16)12-21/h4-10,12,20H,11H2,1-3H3
InChIKeyLADVFVQOQJHTFG-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.34
Rot. Bonds6

About N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide

N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 129079377) has the molecular formula C18H20FNO2S2 and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID129079377
Molecular FormulaC18H20FNO2S2
Molecular Weight365.50 g/mol
Exact Mass365.09
IUPAC NameN-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1cccc(F)c1Sc1ccccc1C=O
InChIInChI=1S/C18H20FNO2S2/c1-18(2,3)24(22)20-11-13-8-6-9-15(19)17(13)23-16-10-5-4-7-14(16)12-21/h4-10,12,20H,11H2,1-3H3
InChIKeyLADVFVQOQJHTFG-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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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide (CID 129079377) is N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NCc1cccc(F)c1Sc1ccccc1C=O.
What is the InChIKey of N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is LADVFVQOQJHTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S2/c1-18(2,3)24(22)20-11-13-8-6-9-15(19)17(13)23-16-10-5-4-7-14(16)12-21/h4-10,12,20H,11H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide?
N-[[3-fluoro-2-(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-[[3-fluoro-2-(2-formylphenyl)sulfanylphenyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 129079377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).