1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

C17H18FNO3S — CID 121084236

IUPAC1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H18FNO3S/c1-22-16-6-2-13(3-7-16)14-10-11-19(12-14)23(20,21)17-8-4-15(18)5-9-17/h2-9,14H,10-12H2,1H3
InChIKeyVYAMQQBSLCZJNH-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.01
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine (PubChem CID 121084236) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
PubChem CID121084236
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H18FNO3S/c1-22-16-6-2-13(3-7-16)14-10-11-19(12-14)23(20,21)17-8-4-15(18)5-9-17/h2-9,14H,10-12H2,1H3
InChIKeyVYAMQQBSLCZJNH-UHFFFAOYSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
CID 121084286
1-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147259
1-(3,4-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147289
5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 95845003
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 75932086
3-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 94797843
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 94919570
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084274
4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 171678466
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine (CID 121084236) is 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine is COc1ccc(C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine?
The InChIKey is VYAMQQBSLCZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-22-16-6-2-13(3-7-16)14-10-11-19(12-14)23(20,21)17-8-4-15(18)5-9-17/h2-9,14H,10-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine?
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine has a molecular weight of 335.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 121084236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).