(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine

C14H14ClNO2S2 — CID 6919104

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C14H14ClNO2S2/c15-11-5-7-12(8-6-11)20(17,18)16-9-1-3-13(16)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2/t13-/m0/s1
InChIKeyWMCBPITWUUHVJB-ZDUSSCGKSA-N
MW327.86 g/mol
LogP3.93
Rot. Bonds3

About (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine

(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine (PubChem CID 6919104) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
PubChem CID6919104
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C14H14ClNO2S2/c15-11-5-7-12(8-6-11)20(17,18)16-9-1-3-13(16)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2/t13-/m0/s1
InChIKeyWMCBPITWUUHVJB-ZDUSSCGKSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Phenylsulfonyl)-2-(2-thienyl)pyrrolidine
CID 2805670
1-((4-Chlorophenyl)sulfonyl)-2-(2-thienyl)pyrrolidine
CID 2805672
4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519190
(2R)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6929479
2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 2820267
4-chloro-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4792768
4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3239377
1-[(2-Chlorophenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 20895702
4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
CID 35407559
N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 61363022
1-[(4-Fluorophenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 21706744
4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2820272

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine (CID 6919104) is (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine is O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The InChIKey is WMCBPITWUUHVJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c15-11-5-7-12(8-6-11)20(17,18)16-9-1-3-13(16)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2/t13-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine has a molecular weight of 327.86 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 6919104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).