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

C14H14ClNO2S2 — CID 20895702

IUPAC1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C14H14ClNO2S2/c15-11-5-1-2-8-14(11)20(17,18)16-9-3-6-12(16)13-7-4-10-19-13/h1-2,4-5,7-8,10,12H,3,6,9H2
InChIKeyHQWRPJKQARHKOU-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.93
Rot. Bonds3

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

1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine (PubChem CID 20895702) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
PubChem CID20895702
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC Name1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C14H14ClNO2S2/c15-11-5-1-2-8-14(11)20(17,18)16-9-3-6-12(16)13-7-4-10-19-13/h1-2,4-5,7-8,10,12H,3,6,9H2
InChIKeyHQWRPJKQARHKOU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine (CID 20895702) is 1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine is O=S(=O)(c1ccccc1Cl)N1CCCC1c1cccs1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The InChIKey is HQWRPJKQARHKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c15-11-5-1-2-8-14(11)20(17,18)16-9-3-6-12(16)13-7-4-10-19-13/h1-2,4-5,7-8,10,12H,3,6,9H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine?
1-(2-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 1-(2-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 20895702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).