(2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine

C11H14FNO2S — CID 42262994

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(C[C@@H]1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c12-9-3-5-11(6-4-9)16(14,15)8-10-2-1-7-13-10/h3-6,10,13H,1-2,7-8H2/t10-/m0/s1
InChIKeyHKISNMGYUGHWOS-JTQLQIEISA-N
MW243.30 g/mol
LogP1.35
Rot. Bonds3

About (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine

(2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine (PubChem CID 42262994) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine
PubChem CID42262994
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(C[C@@H]1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c12-9-3-5-11(6-4-9)16(14,15)8-10-2-1-7-13-10/h3-6,10,13H,1-2,7-8H2/t10-/m0/s1
InChIKeyHKISNMGYUGHWOS-JTQLQIEISA-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 (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine (CID 42262994) is (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine is O=S(=O)(C[C@@H]1CCCN1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine?
The InChIKey is HKISNMGYUGHWOS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-9-3-5-11(6-4-9)16(14,15)8-10-2-1-7-13-10/h3-6,10,13H,1-2,7-8H2/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine?
(2S)-2-[(4-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 (2S)-2-[(4-fluorophenyl)sulfonylmethyl]pyrrolidine is sourced from PubChem (CID 42262994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).