3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine

C16H22FNO3S — CID 130305547

IUPAC3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C3CCC3)C2)c(F)c1
InChIInChI=1S/C16H22FNO3S/c1-2-21-14-6-7-16(15(17)10-14)22(19,20)18-9-8-13(11-18)12-4-3-5-12/h6-7,10,12-13H,2-5,8-9,11H2,1H3
InChIKeyHSFLPYBRUVLKLO-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.04
Rot. Bonds5

About 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine

3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine (PubChem CID 130305547) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine
PubChem CID130305547
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C3CCC3)C2)c(F)c1
InChIInChI=1S/C16H22FNO3S/c1-2-21-14-6-7-16(15(17)10-14)22(19,20)18-9-8-13(11-18)12-4-3-5-12/h6-7,10,12-13H,2-5,8-9,11H2,1H3
InChIKeyHSFLPYBRUVLKLO-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2R)-1-[3-(2-(18F)fluoroethoxy)phenyl]sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 168283760
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CID 893819
1-((4-Butoxyphenyl)sulfonyl)azepane
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CID 3241747
4-(3-Pyrrolidin-1-ylpropoxy)benzenesulfonamide
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4-(4-Pyrrolidin-1-ylbutoxy)benzenesulfonamide
CID 60145492
(3S*,4R*)-1-{[4-(difluoromethoxy)phenyl]sulfonyl}-N,N-dimethyl-4-propyl-3-pyrrolidinamine
CID 70722908
1-(3-Ethoxy-4-fluorophenyl)sulfonylpyrrolidine
CID 935043
1-[(4-Methoxyphenyl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 2929336
4-(1-Cyclopropylmethyl-piperidin-4-ylmethoxy)-N,N-dimethyl-benzenesulfonamide
CID 10383387
N-((1-cyclopentylpiperidin-4-yl)methyl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 16887749
5-Fluoro-2-methoxy-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915442

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine (CID 130305547) is 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine is CCOc1ccc(S(=O)(=O)N2CCC(C3CCC3)C2)c(F)c1.
What is the InChIKey of 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is HSFLPYBRUVLKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3S/c1-2-21-14-6-7-16(15(17)10-14)22(19,20)18-9-8-13(11-18)12-4-3-5-12/h6-7,10,12-13H,2-5,8-9,11H2,1H3.
What are the key properties of 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine?
3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 327.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(4-ethoxy-2-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 130305547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).