1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine

C17H18FNO3S — CID 51320506

IUPAC1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2S(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO3S/c1-22-15-7-2-5-13(11-15)17-9-4-10-19(17)23(20,21)16-8-3-6-14(18)12-16/h2-3,5-8,11-12,17H,4,9-10H2,1H3
InChIKeyGITCJPCFENLNRD-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.36
Rot. Bonds4

About 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine

1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine (PubChem CID 51320506) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
PubChem CID51320506
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2S(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO3S/c1-22-15-7-2-5-13(11-15)17-9-4-10-19(17)23(20,21)16-8-3-6-14(18)12-16/h2-3,5-8,11-12,17H,4,9-10H2,1H3
InChIKeyGITCJPCFENLNRD-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 95078943
2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 53096130
methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 46514637
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 60960045
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 94579683
5-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 95718316
5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 95718315
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51856127
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51855630

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine (CID 51320506) is 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine is COc1cccc(C2CCCN2S(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine?
The InChIKey is GITCJPCFENLNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-22-15-7-2-5-13(11-15)17-9-4-10-19(17)23(20,21)16-8-3-6-14(18)12-16/h2-3,5-8,11-12,17H,4,9-10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine?
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine has a molecular weight of 335.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 51320506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).