3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine

C16H22FNO4S — CID 121197743

IUPAC3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(OCC3CC3)C2)cc1F
InChIInChI=1S/C16H22FNO4S/c1-2-21-16-6-5-14(9-15(16)17)23(19,20)18-8-7-13(10-18)22-11-12-3-4-12/h5-6,9,12-13H,2-4,7-8,10-11H2,1H3
InChIKeyJDWSRHCXOXMLNG-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.41
Rot. Bonds7

About 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine

3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine (PubChem CID 121197743) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine
PubChem CID121197743
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC Name3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(OCC3CC3)C2)cc1F
InChIInChI=1S/C16H22FNO4S/c1-2-21-16-6-5-14(9-15(16)17)23(19,20)18-8-7-13(10-18)22-11-12-3-4-12/h5-6,9,12-13H,2-4,7-8,10-11H2,1H3
InChIKeyJDWSRHCXOXMLNG-UHFFFAOYSA-N
XLogP2.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
CID 129357025
2-[(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxyacetic acid
CID 166263448
1-(4-tert-butylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
CID 121197737
5-chloro-2-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259663
[(3S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 125118085
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
1-[(3S)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidin-3-yl]-4-phenyltriazole
CID 99987062
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
2-[1-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617994
1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(1-methylimidazol-2-yl)sulfonylpiperidine
CID 86265164
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
[1-(3-bromo-4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972110

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine (CID 121197743) is 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine is CCOc1ccc(S(=O)(=O)N2CCC(OCC3CC3)C2)cc1F.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is JDWSRHCXOXMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c1-2-21-16-6-5-14(9-15(16)17)23(19,20)18-8-7-13(10-18)22-11-12-3-4-12/h5-6,9,12-13H,2-4,7-8,10-11H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine?
3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 343.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 121197743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).