(2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine

C16H17Cl2NO2S2 — CID 9446271

IUPAC(2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(CCN1CCC[C@@H]1c1cccs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2S2/c17-12-5-6-13(18)16(11-12)23(20,21)10-8-19-7-1-3-14(19)15-4-2-9-22-15/h2,4-6,9,11,14H,1,3,7-8,10H2/t14-/m1/s1
InChIKeyVIHSCSCCTBSBLZ-CQSZACIVSA-N
MW390.36 g/mol
LogP4.67
Rot. Bonds5

About (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine

(2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine (PubChem CID 9446271) has the molecular formula C16H17Cl2NO2S2 and a molecular weight of 390.36 g/mol. Its IUPAC name is (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine
PubChem CID9446271
Molecular FormulaC16H17Cl2NO2S2
Molecular Weight390.36 g/mol
Exact Mass389.01
IUPAC Name(2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(CCN1CCC[C@@H]1c1cccs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2S2/c17-12-5-6-13(18)16(11-12)23(20,21)10-8-19-7-1-3-14(19)15-4-2-9-22-15/h2,4-6,9,11,14H,1,3,7-8,10H2/t14-/m1/s1
InChIKeyVIHSCSCCTBSBLZ-CQSZACIVSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine?
The IUPAC name of (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine (CID 9446271) is (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine is O=S(=O)(CCN1CCC[C@@H]1c1cccs1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine?
The InChIKey is VIHSCSCCTBSBLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S2/c17-12-5-6-13(18)16(11-12)23(20,21)10-8-19-7-1-3-14(19)15-4-2-9-22-15/h2,4-6,9,11,14H,1,3,7-8,10H2/t14-/m1/s1.
What are the key properties of (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine?
(2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine has a molecular weight of 390.36 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 9446271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).