(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine

C20H24ClNO3S — CID 39991594

IUPAC(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine
SMILESCCOc1ccc([C@@H]2CCCN2CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO3S/c1-2-25-18-9-5-16(6-10-18)20-4-3-13-22(20)14-15-26(23,24)19-11-7-17(21)8-12-19/h5-12,20H,2-4,13-15H2,1H3/t20-/m0/s1
InChIKeyNEFFQWYVEIUJTI-FQEVSTJZSA-N
MW393.94 g/mol
LogP4.35
Rot. Bonds7

About (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine

(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine (PubChem CID 39991594) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine
PubChem CID39991594
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine
SMILESCCOc1ccc([C@@H]2CCCN2CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO3S/c1-2-25-18-9-5-16(6-10-18)20-4-3-13-22(20)14-15-26(23,24)19-11-7-17(21)8-12-19/h5-12,20H,2-4,13-15H2,1H3/t20-/m0/s1
InChIKeyNEFFQWYVEIUJTI-FQEVSTJZSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46662798
4-chloro-N-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 46637705
[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
CID 62046870
1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine
CID 63256082
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 94080642
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine
CID 25248409
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46647103
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 90608952
methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate
CID 42576017
1-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]indole-2,3-dione
CID 9324483

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine?
The IUPAC name of (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine (CID 39991594) is (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine.
What is the SMILES notation for (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine?
The canonical SMILES for (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine is CCOc1ccc([C@@H]2CCCN2CCS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine?
The InChIKey is NEFFQWYVEIUJTI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-2-25-18-9-5-16(6-10-18)20-4-3-13-22(20)14-15-26(23,24)19-11-7-17(21)8-12-19/h5-12,20H,2-4,13-15H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine?
(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine has a molecular weight of 393.94 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine is sourced from PubChem (CID 39991594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).