4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine

C17H20N2O4S — CID 30747502

IUPAC4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2ccncc2)c1
InChIInChI=1S/C17H20N2O4S/c1-22-14-5-6-16(23-2)17(12-14)24(20,21)19-11-3-4-15(19)13-7-9-18-10-8-13/h5-10,12,15H,3-4,11H2,1-2H3/t15-/m0/s1
InChIKeyVMXSPBXMFUBHHH-HNNXBMFYSA-N
MW348.42 g/mol
LogP2.62
Rot. Bonds5

About 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine

4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 30747502) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID30747502
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2ccncc2)c1
InChIInChI=1S/C17H20N2O4S/c1-22-14-5-6-16(23-2)17(12-14)24(20,21)19-11-3-4-15(19)13-7-9-18-10-8-13/h5-10,12,15H,3-4,11H2,1-2H3/t15-/m0/s1
InChIKeyVMXSPBXMFUBHHH-HNNXBMFYSA-N
XLogP2.62
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809417
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
4-[1-(4-methoxy-3-nitrophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 47021589
3-[(2R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893996
2-(2,5-dimethoxyphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994348
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole
CID 55435590
2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
CID 51335834
2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 110750417
1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17488650
4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
CID 60910841
1-[(4aR,7aR)-1-(2,5-dimethoxyphenyl)sulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 46956605
(4aS,8aR)-4-(2,5-dimethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 51984083

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 30747502) is 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine is COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2ccncc2)c1.
What is the InChIKey of 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is VMXSPBXMFUBHHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-22-14-5-6-16(23-2)17(12-14)24(20,21)19-11-3-4-15(19)13-7-9-18-10-8-13/h5-10,12,15H,3-4,11H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine?
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 348.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 30747502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).