1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine

C18H20ClNO3S — CID 24511415

IUPAC1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
SMILESCCOc1ccc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-2-23-16-9-5-14(6-10-16)18-4-3-13-20(18)24(21,22)17-11-7-15(19)8-12-17/h5-12,18H,2-4,13H2,1H3
InChIKeyDFVOQDGMSUGROI-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine

1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine (PubChem CID 24511415) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
PubChem CID24511415
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
SMILESCCOc1ccc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-2-23-16-9-5-14(6-10-16)18-4-3-13-20(18)24(21,22)17-11-7-15(19)8-12-17/h5-12,18H,2-4,13H2,1H3
InChIKeyDFVOQDGMSUGROI-UHFFFAOYSA-N
XLogP4.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609
(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine
CID 39991594
(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
CID 51856005
4-chloro-N-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 46637705
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 42939523
methyl 1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409870
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 94080813
(2R)-2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylazepane
CID 95079108
4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 51331124

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine (CID 24511415) is 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine is CCOc1ccc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine?
The InChIKey is DFVOQDGMSUGROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-2-23-16-9-5-14(6-10-16)18-4-3-13-20(18)24(21,22)17-11-7-15(19)8-12-17/h5-12,18H,2-4,13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine?
1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine has a molecular weight of 365.88 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine is sourced from PubChem (CID 24511415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).