1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine

C12H15Cl2NO3S — CID 850099

IUPAC1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-2-18-11-7-10(14)12(8-9(11)13)19(16,17)15-5-3-4-6-15/h7-8H,2-6H2,1H3
InChIKeyJYMSPNBIACARRP-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.18
Rot. Bonds4

About 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine

1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine (PubChem CID 850099) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine
PubChem CID850099
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-2-18-11-7-10(14)12(8-9(11)13)19(16,17)15-5-3-4-6-15/h7-8H,2-6H2,1H3
InChIKeyJYMSPNBIACARRP-UHFFFAOYSA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine (CID 850099) is 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine is CCOc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine?
The InChIKey is JYMSPNBIACARRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c1-2-18-11-7-10(14)12(8-9(11)13)19(16,17)15-5-3-4-6-15/h7-8H,2-6H2,1H3.
What are the key properties of 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine?
1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine has a molecular weight of 324.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-ethoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 850099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).