(2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine

C19H22ClNO2S — CID 97016329

IUPAC(2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine
SMILESO=S(=O)(CCN1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H22ClNO2S/c20-19-11-5-4-7-16(19)15-17-8-6-12-21(17)13-14-24(22,23)18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2/t17-/m0/s1
InChIKeyXAGUWIXZILYAEP-KRWDZBQOSA-N
MW363.91 g/mol
LogP3.82
Rot. Bonds6

About (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine

(2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine (PubChem CID 97016329) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine
PubChem CID97016329
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name(2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine
SMILESO=S(=O)(CCN1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H22ClNO2S/c20-19-11-5-4-7-16(19)15-17-8-6-12-21(17)13-14-24(22,23)18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2/t17-/m0/s1
InChIKeyXAGUWIXZILYAEP-KRWDZBQOSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine?
The IUPAC name of (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine (CID 97016329) is (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine?
The canonical SMILES for (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine is O=S(=O)(CCN1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine?
The InChIKey is XAGUWIXZILYAEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c20-19-11-5-4-7-16(19)15-17-8-6-12-21(17)13-14-24(22,23)18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2/t17-/m0/s1.
What are the key properties of (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine?
(2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine has a molecular weight of 363.91 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(2-chlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 97016329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).