1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol

C20H22N2O3S — CID 22091407

IUPAC1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)n2cc(CN3CCC(O)C3)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-6-8-18(9-7-15)26(24,25)22-13-16(12-21-11-10-17(23)14-21)19-4-2-3-5-20(19)22/h2-9,13,17,23H,10-12,14H2,1H3
InChIKeyUAICPEDJTNLRAS-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.75
Rot. Bonds4

About 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol

1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 22091407) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol
PubChem CID22091407
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)n2cc(CN3CCC(O)C3)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-6-8-18(9-7-15)26(24,25)22-13-16(12-21-11-10-17(23)14-21)19-4-2-3-5-20(19)22/h2-9,13,17,23H,10-12,14H2,1H3
InChIKeyUAICPEDJTNLRAS-UHFFFAOYSA-N
XLogP2.75
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole;hydrochloride
CID 175183696
benzyl 2-[4-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]piperazin-1-yl]acetate
CID 175364963
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole
CID 66853251
1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole
CID 66852331
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
CID 58017354
1-(4-benzylphenyl)sulfonyl-3-(1-benzylpyrrolidin-3-yl)indole
CID 141064066
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
(1S,4S)-2'-methyl-1'-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-pyrrolidine]
CID 101406340
1-(4-methylphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69186511
1-(4-methylphenyl)sulfonyl-3-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]indole
CID 66852552

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol (CID 22091407) is 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol is Cc1ccc(S(=O)(=O)n2cc(CN3CCC(O)C3)c3ccccc32)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is UAICPEDJTNLRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-6-8-18(9-7-15)26(24,25)22-13-16(12-21-11-10-17(23)14-21)19-4-2-3-5-20(19)22/h2-9,13,17,23H,10-12,14H2,1H3.
What are the key properties of 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol?
1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 370.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 22091407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).