1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine

C12H17NO4S — CID 738688

IUPAC1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H17NO4S/c1-16-10-5-6-11(17-2)12(9-10)18(14,15)13-7-3-4-8-13/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyURZPZBHMQVNJAL-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.49
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine

1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine (PubChem CID 738688) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
PubChem CID738688
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H17NO4S/c1-16-10-5-6-11(17-2)12(9-10)18(14,15)13-7-3-4-8-13/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyURZPZBHMQVNJAL-UHFFFAOYSA-N
XLogP1.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
Benzenesulfonamide, 2,5-dimethoxy-
CID 209044
2,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 768903
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
2-[(2,5-Dimethoxyphenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6466395
2,5-Dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2868443
1-[(4-Ethoxyphenyl)sulfonyl]pyrrolidine
CID 893819
N-[(3R)-1-cyano-3-pyrrolidinyl]-2,5-bis(methyloxy)benzenesulfonamide
CID 44464926
N-[(3R,5S)-1-Cyano-5-methyl-3-pyrrolidinyl]-2,5-bis(methyloxy)benzenesulfonamide
CID 53318818
1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine
CID 778310
4-(2,5-Diethoxyphenyl)sulfonylmorpholine
CID 778396

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine (CID 738688) is 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine is COc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine?
The InChIKey is URZPZBHMQVNJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-16-10-5-6-11(17-2)12(9-10)18(14,15)13-7-3-4-8-13/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine?
1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine has a molecular weight of 271.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 738688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).