2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole

C15H19N3O3S — CID 110104512

IUPAC2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2ncc(C)[nH]2)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-10-16-15(17-11)14-4-3-9-18(14)22(19,20)13-7-5-12(21-2)6-8-13/h5-8,10,14H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyOSYNWOHJTIWSRR-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.25
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole

2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole (PubChem CID 110104512) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
PubChem CID110104512
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2ncc(C)[nH]2)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-10-16-15(17-11)14-4-3-9-18(14)22(19,20)13-7-5-12(21-2)6-8-13/h5-8,10,14H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyOSYNWOHJTIWSRR-UHFFFAOYSA-N
XLogP2.25
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104553
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124976182
5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 124999412
5-(4-methoxyphenyl)-4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-amine
CID 95814992
1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 124961579
5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809291
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124955488
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
CID 110104284
5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 110218456
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110104420

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole (CID 110104512) is 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole is COc1ccc(S(=O)(=O)N2CCCC2c2ncc(C)[nH]2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The InChIKey is OSYNWOHJTIWSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-10-16-15(17-11)14-4-3-9-18(14)22(19,20)13-7-5-12(21-2)6-8-13/h5-8,10,14H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole has a molecular weight of 321.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole is sourced from PubChem (CID 110104512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).