3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine

C18H20FNO3S — CID 174374753

IUPAC3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine
SMILESCOCc1ccc(S(=O)(=O)C2NCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3S/c1-23-12-13-2-8-16(9-3-13)24(21,22)18-17(10-11-20-18)14-4-6-15(19)7-5-14/h2-9,17-18,20H,10-12H2,1H3
InChIKeyBMHGTQPKHYKZPH-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.85
Rot. Bonds5

About 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine

3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine (PubChem CID 174374753) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine
PubChem CID174374753
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine
SMILESCOCc1ccc(S(=O)(=O)C2NCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3S/c1-23-12-13-2-8-16(9-3-13)24(21,22)18-17(10-11-20-18)14-4-6-15(19)7-5-14/h2-9,17-18,20H,10-12H2,1H3
InChIKeyBMHGTQPKHYKZPH-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine (CID 174374753) is 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine is COCc1ccc(S(=O)(=O)C2NCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine?
The InChIKey is BMHGTQPKHYKZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-23-12-13-2-8-16(9-3-13)24(21,22)18-17(10-11-20-18)14-4-6-15(19)7-5-14/h2-9,17-18,20H,10-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine?
3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine has a molecular weight of 349.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 174374753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).