1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole

C22H28N2O2S — CID 155566888

IUPAC1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole
SMILESCCCN1CCC(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2S/c1-2-13-23-14-10-18(11-15-23)19-8-9-22-20(17-19)12-16-24(22)27(25,26)21-6-4-3-5-7-21/h3-9,17-18H,2,10-16H2,1H3
InChIKeyFTHTYXCWRXEABJ-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.03
Rot. Bonds5

About 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole

1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole (PubChem CID 155566888) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole
PubChem CID155566888
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole
SMILESCCCN1CCC(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2S/c1-2-13-23-14-10-18(11-15-23)19-8-9-22-20(17-19)12-16-24(22)27(25,26)21-6-4-3-5-7-21/h3-9,17-18H,2,10-16H2,1H3
InChIKeyFTHTYXCWRXEABJ-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-1,3-dihydroisoindole
CID 155566829
5-[4-[[5-(1-propylazetidin-3-yl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,3-oxazole;hydrochloride
CID 68597377
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole
CID 159132261
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
CID 893382
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine
CID 138734639
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
CID 175252645
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 46262869

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole (CID 155566888) is 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole is CCCN1CCC(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole?
The InChIKey is FTHTYXCWRXEABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-2-13-23-14-10-18(11-15-23)19-8-9-22-20(17-19)12-16-24(22)27(25,26)21-6-4-3-5-7-21/h3-9,17-18H,2,10-16H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole?
1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole has a molecular weight of 384.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 155566888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).