2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine

C11H14FNO2S — CID 84703894

IUPAC2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(CC1CCCN1)c1ccccc1F
InChIInChI=1S/C11H14FNO2S/c12-10-5-1-2-6-11(10)16(14,15)8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyVLVYGVDUNQUKMC-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.35
Rot. Bonds3

About 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine

2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine (PubChem CID 84703894) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine
PubChem CID84703894
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(CC1CCCN1)c1ccccc1F
InChIInChI=1S/C11H14FNO2S/c12-10-5-1-2-6-11(10)16(14,15)8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyVLVYGVDUNQUKMC-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
2-(2-(Phenylsulfonyl)ethyl)piperidine hydrochloride
CID 24747372
1-(2-(Phenylsulfonyl)ethyl)pyrrolidine
CID 2778353
N-(2-phenylsulfonylethyl)-2-propanamine
CID 13655034
N-[2-(benzenesulfonyl)ethyl]propan-1-amine
CID 57300593
3-(Phenylsulfonyl)pyrrolidine hydrochloride
CID 44118718
N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide
CID 3091627
4-(4-Fluorobenzenesulfonyl)piperidine
CID 11032089
4-(Phenylsulfonyl)piperidine hydrochloride
CID 17749803
2-(4-Fluorobenzenesulfonyl)ethan-1-amine hydrochloride
CID 22693712
n-(1,1-Dioxidotetrahydrothiophen-3-yl)-4-fluorobenzenesulfonamide
CID 2810892
1-(Methylsulfonyl)-2-((phenylsulfonyl)methyl)pyrrolidine
CID 71805892

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine (CID 84703894) is 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine is O=S(=O)(CC1CCCN1)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine?
The InChIKey is VLVYGVDUNQUKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-10-5-1-2-6-11(10)16(14,15)8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2.
What are the key properties of 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine?
2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine has a molecular weight of 243.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylmethyl]pyrrolidine is sourced from PubChem (CID 84703894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).