1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine

C11H14FNO2S — CID 61224457

IUPAC1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO2S/c1-9-6-7-13(8-9)16(14,15)11-4-2-10(12)3-5-11/h2-5,9H,6-8H2,1H3
InChIKeyQVNYMYHTCRNIFZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.86
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine

1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine (PubChem CID 61224457) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
PubChem CID61224457
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO2S/c1-9-6-7-13(8-9)16(14,15)11-4-2-10(12)3-5-11/h2-5,9H,6-8H2,1H3
InChIKeyQVNYMYHTCRNIFZ-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43404978
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287394
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine (CID 61224457) is 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine is CC1CCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine?
The InChIKey is QVNYMYHTCRNIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-9-6-7-13(8-9)16(14,15)11-4-2-10(12)3-5-11/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine?
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine has a molecular weight of 243.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine is sourced from PubChem (CID 61224457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).