2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole

C20H22N2O2S — CID 113088376

IUPAC2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C20H22N2O2S/c1-14-7-8-15(2)20(11-14)25(23,24)22-10-9-17(13-22)19-12-16-5-3-4-6-18(16)21-19/h3-8,11-12,17,21H,9-10,13H2,1-2H3
InChIKeyJFPKCAMEEWFWAZ-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.96
Rot. Bonds3

About 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole

2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole (PubChem CID 113088376) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
PubChem CID113088376
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C20H22N2O2S/c1-14-7-8-15(2)20(11-14)25(23,24)22-10-9-17(13-22)19-12-16-5-3-4-6-18(16)21-19/h3-8,11-12,17,21H,9-10,13H2,1-2H3
InChIKeyJFPKCAMEEWFWAZ-UHFFFAOYSA-N
XLogP3.96
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088723
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087902
5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 16589989
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522191
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole (CID 113088376) is 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole is Cc1ccc(C)c(S(=O)(=O)N2CCC(c3cc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole?
The InChIKey is JFPKCAMEEWFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-7-8-15(2)20(11-14)25(23,24)22-10-9-17(13-22)19-12-16-5-3-4-6-18(16)21-19/h3-8,11-12,17,21H,9-10,13H2,1-2H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole?
2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole has a molecular weight of 354.48 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole is sourced from PubChem (CID 113088376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).