1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine

C13H18ClNO3S — CID 850056

IUPAC1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H18ClNO3S/c1-3-18-12-8-10(2)11(14)9-13(12)19(16,17)15-6-4-5-7-15/h8-9H,3-7H2,1-2H3
InChIKeyHAFZKKVALXQUIJ-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.83
Rot. Bonds4

About 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine

1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine (PubChem CID 850056) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine
PubChem CID850056
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H18ClNO3S/c1-3-18-12-8-10(2)11(14)9-13(12)19(16,17)15-6-4-5-7-15/h8-9H,3-7H2,1-2H3
InChIKeyHAFZKKVALXQUIJ-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine (CID 850056) is 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine is CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is HAFZKKVALXQUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-3-18-12-8-10(2)11(14)9-13(12)19(16,17)15-6-4-5-7-15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine?
1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 303.81 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 850056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).