1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine

C14H21NO3S — CID 970153

IUPAC1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(S(=O)(=O)N2CCCC2)c(C)cc1C
InChIInChI=1S/C14H21NO3S/c1-4-18-13-10-14(12(3)9-11(13)2)19(16,17)15-7-5-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyUZGDEYONILQNGJ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.49
Rot. Bonds4

About 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine

1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine (PubChem CID 970153) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
PubChem CID970153
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(S(=O)(=O)N2CCCC2)c(C)cc1C
InChIInChI=1S/C14H21NO3S/c1-4-18-13-10-14(12(3)9-11(13)2)19(16,17)15-7-5-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyUZGDEYONILQNGJ-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
5-ethoxy-2,4-dimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256749
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
1-[(4'-Methoxy-4-biphenylyl)sulfonyl]pyrrolidine
CID 852203
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
[(5-Ethoxy-2,4-dimethylphenyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 2235525
Ethyl 4-ethyl-2-(1-pyrrolidinylsulfonyl)phenyl ether
CID 16645100
(3R,4R)-1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-3,4-dimethylpyrrolidin-3-ol
CID 72885199
1-(5-Methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
CID 801476

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine (CID 970153) is 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine is CCOc1cc(S(=O)(=O)N2CCCC2)c(C)cc1C.
What is the InChIKey of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine?
The InChIKey is UZGDEYONILQNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-18-13-10-14(12(3)9-11(13)2)19(16,17)15-7-5-6-8-15/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine?
1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine has a molecular weight of 283.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 970153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).