1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine

C18H20ClNO4S — CID 18146774

IUPAC1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H20ClNO4S/c1-23-17-9-8-13(11-18(17)24-2)16-7-4-10-20(16)25(21,22)15-6-3-5-14(19)12-15/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3
InChIKeyBBYNVJJDXADENU-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.88
Rot. Bonds5

About 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine

1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine (PubChem CID 18146774) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine
PubChem CID18146774
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H20ClNO4S/c1-23-17-9-8-13(11-18(17)24-2)16-7-4-10-20(16)25(21,22)15-6-3-5-14(19)12-15/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3
InChIKeyBBYNVJJDXADENU-UHFFFAOYSA-N
XLogP3.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 25472243
(2R)-2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylazepane
CID 95079108
(2S)-2-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 25472225
2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine
CID 18146777
3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 30287737
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 53096226
(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 26821437
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine (CID 18146774) is 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine is COc1ccc(C2CCCN2S(=O)(=O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine?
The InChIKey is BBYNVJJDXADENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-23-17-9-8-13(11-18(17)24-2)16-7-4-10-20(16)25(21,22)15-6-3-5-14(19)12-15/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine?
1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine has a molecular weight of 381.88 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 18146774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).