1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine

C16H18ClNO4S2 — CID 24511085

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(OC)c1
InChIInChI=1S/C16H18ClNO4S2/c1-21-11-5-6-12(14(10-11)22-2)13-4-3-9-18(13)24(19,20)16-8-7-15(17)23-16/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyBZUXUCCQNNRGLL-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.94
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine

1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine (PubChem CID 24511085) has the molecular formula C16H18ClNO4S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
PubChem CID24511085
Molecular FormulaC16H18ClNO4S2
Molecular Weight387.91 g/mol
Exact Mass387.04
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(OC)c1
InChIInChI=1S/C16H18ClNO4S2/c1-21-11-5-6-12(14(10-11)22-2)13-4-3-9-18(13)24(19,20)16-8-7-15(17)23-16/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyBZUXUCCQNNRGLL-UHFFFAOYSA-N
XLogP3.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine (CID 24511085) is 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine is COc1ccc(C2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(OC)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine?
The InChIKey is BZUXUCCQNNRGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S2/c1-21-11-5-6-12(14(10-11)22-2)13-4-3-9-18(13)24(19,20)16-8-7-15(17)23-16/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine?
1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine has a molecular weight of 387.91 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 24511085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).