5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole

C20H22N2O2S — CID 11502017

IUPAC5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole
SMILESCN1CCC(n2ccc3cc(S(=O)(=O)c4ccccc4)ccc32)CC1
InChIInChI=1S/C20H22N2O2S/c1-21-12-10-17(11-13-21)22-14-9-16-15-19(7-8-20(16)22)25(23,24)18-5-3-2-4-6-18/h2-9,14-15,17H,10-13H2,1H3
InChIKeyQPFNUJKHFHSSNN-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.74
Rot. Bonds3

About 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole

5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole (PubChem CID 11502017) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole
PubChem CID11502017
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole
SMILESCN1CCC(n2ccc3cc(S(=O)(=O)c4ccccc4)ccc32)CC1
InChIInChI=1S/C20H22N2O2S/c1-21-12-10-17(11-13-21)22-14-9-16-15-19(7-8-20(16)22)25(23,24)18-5-3-2-4-6-18/h2-9,14-15,17H,10-13H2,1H3
InChIKeyQPFNUJKHFHSSNN-UHFFFAOYSA-N
XLogP3.74
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[5-(3-fluorophenyl)sulfonylindol-1-yl]piperidine-1-carboxylate;hydrochloride
CID 69234975
2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide
CID 70383161
5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole
CID 11710958
1-cyclobutylindole-5-carboxylic acid
CID 115115226
N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide
CID 159739532
1-(1-butylpiperidin-4-yl)indole
CID 23215946
1-(1-cyclopentylindol-5-yl)ethanone
CID 115115492
5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
CID 46880658
2-(1-cyclohexylindol-5-yl)propanoic acid
CID 117118613
5-(benzenesulfonyl)-1,2-diphenylindole
CID 21424353
6-bromo-1-(1-methylpyrrolidin-3-yl)indole
CID 137382323
1-cyclopentylindole-5-carbaldehyde
CID 115115491

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole?
The IUPAC name of 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole (CID 11502017) is 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole.
What is the SMILES notation for 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole?
The canonical SMILES for 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole is CN1CCC(n2ccc3cc(S(=O)(=O)c4ccccc4)ccc32)CC1.
What is the InChIKey of 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole?
The InChIKey is QPFNUJKHFHSSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-21-12-10-17(11-13-21)22-14-9-16-15-19(7-8-20(16)22)25(23,24)18-5-3-2-4-6-18/h2-9,14-15,17H,10-13H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole?
5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole has a molecular weight of 354.48 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1-(1-methylpiperidin-4-yl)indole is sourced from PubChem (CID 11502017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).