3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine

C22H29NO3S — CID 121084286

IUPAC3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)C2)cc1
InChIInChI=1S/C22H29NO3S/c1-14-15(2)17(4)22(18(5)16(14)3)27(24,25)23-12-11-20(13-23)19-7-9-21(26-6)10-8-19/h7-10,20H,11-13H2,1-6H3
InChIKeyZMWWSRTVVSPEPN-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.42
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine

3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine (PubChem CID 121084286) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
PubChem CID121084286
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC Name3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)C2)cc1
InChIInChI=1S/C22H29NO3S/c1-14-15(2)17(4)22(18(5)16(14)3)27(24,25)23-12-11-20(13-23)19-7-9-21(26-6)10-8-19/h7-10,20H,11-13H2,1-6H3
InChIKeyZMWWSRTVVSPEPN-UHFFFAOYSA-N
XLogP4.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 75932086
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 94919570
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084274
(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 99876889
methyl 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 47091704
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
3-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 94797843
3-(4-methoxyphenyl)-5-[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 46096607
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234
1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147273
1-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147259

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine (CID 121084286) is 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine is COc1ccc(C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine?
The InChIKey is ZMWWSRTVVSPEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-14-15(2)17(4)22(18(5)16(14)3)27(24,25)23-12-11-20(13-23)19-7-9-21(26-6)10-8-19/h7-10,20H,11-13H2,1-6H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine?
3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine has a molecular weight of 387.55 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 121084286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).