1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine

C11H14FNO2S — CID 145473250

IUPAC1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C11H14FNO2S/c1-16(14,15)9-4-5-11(10(12)8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyJACUSKFTZQCKSI-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.83
Rot. Bonds2

About 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine

1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine (PubChem CID 145473250) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine
PubChem CID145473250
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C11H14FNO2S/c1-16(14,15)9-4-5-11(10(12)8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyJACUSKFTZQCKSI-UHFFFAOYSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylsulfonyl-2-pyrrolidin-1-ylphenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone
CID 59793525
(2,6-difluorophenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone
CID 4545352
1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine-3-carbothioamide
CID 87457594
(3S)-1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine-3-carbothioamide
CID 87457593
methyl 5-methylsulfonyl-2-piperidin-1-ylbenzoate
CID 59706417
3-fluoro-4-[4-(5-methylsulfonyl-2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]benzonitrile
CID 59793707
1-(2-fluoro-4-methylsulfonylphenyl)pyrrole
CID 141213908
(2-cyclobutyloxy-5-methylsulfonylphenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone
CID 69291839
[4-[[1-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-ylidene]amino]oxypiperidin-1-yl]-piperidin-1-ylmethanone
CID 58333439
[4-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenyl]piperazin-1-yl]-(5-methylsulfonyl-2-piperidin-1-ylphenyl)methanone
CID 143289185
1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451832
[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-[2-(4-fluorophenoxy)-5-methylsulfonylphenyl]methanone
CID 91177987

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine (CID 145473250) is 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine is CS(=O)(=O)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine?
The InChIKey is JACUSKFTZQCKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-16(14,15)9-4-5-11(10(12)8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine?
1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine has a molecular weight of 243.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 145473250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).