1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine

C18H20BrNO4S — CID 17488650

IUPAC1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(OC)c(C2CCCN2S(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C18H20BrNO4S/c1-23-13-9-10-17(24-2)14(12-13)16-7-5-11-20(16)25(21,22)18-8-4-3-6-15(18)19/h3-4,6,8-10,12,16H,5,7,11H2,1-2H3
InChIKeyKBLOYGWYNZSARB-UHFFFAOYSA-N
MW426.33 g/mol
LogP3.99
Rot. Bonds5

About 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine

1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine (PubChem CID 17488650) has the molecular formula C18H20BrNO4S and a molecular weight of 426.33 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
PubChem CID17488650
Molecular FormulaC18H20BrNO4S
Molecular Weight426.33 g/mol
Exact Mass425.03
IUPAC Name1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(OC)c(C2CCCN2S(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C18H20BrNO4S/c1-23-13-9-10-17(24-2)14(12-13)16-7-5-11-20(16)25(21,22)18-8-4-3-6-15(18)19/h3-4,6,8-10,12,16H,5,7,11H2,1-2H3
InChIKeyKBLOYGWYNZSARB-UHFFFAOYSA-N
XLogP3.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17491177
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260
(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 9190253
2-(2,5-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 17404197
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylazepane
CID 46688857
4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole
CID 51598555
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17486260
2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 46823397
1-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 40987453
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190208
(2S)-2-(2,5-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidine
CID 9190240

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine (CID 17488650) is 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine is COc1ccc(OC)c(C2CCCN2S(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine?
The InChIKey is KBLOYGWYNZSARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4S/c1-23-13-9-10-17(24-2)14(12-13)16-7-5-11-20(16)25(21,22)18-8-4-3-6-15(18)19/h3-4,6,8-10,12,16H,5,7,11H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine?
1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine has a molecular weight of 426.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 17488650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).