5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride

C20H25ClN2O2S — CID 11625342

IUPAC5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride
SMILESCc1cccc(S(=O)(=O)c2ccc3c(c2)CCN3C2CCNCC2)c1.Cl
InChIInChI=1S/C20H24N2O2S.ClH/c1-15-3-2-4-18(13-15)25(23,24)19-5-6-20-16(14-19)9-12-22(20)17-7-10-21-11-8-17;/h2-6,13-14,17,21H,7-12H2,1H3;1H
InChIKeyYKELYQVWLRMSBY-UHFFFAOYSA-N
MW392.95 g/mol
LogP3.36
Rot. Bonds3

About 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride

5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride (PubChem CID 11625342) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride.

Molecular Properties

Compound Name5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride
PubChem CID11625342
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC Name5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride
SMILESCc1cccc(S(=O)(=O)c2ccc3c(c2)CCN3C2CCNCC2)c1.Cl
InChIInChI=1S/C20H24N2O2S.ClH/c1-15-3-2-4-18(13-15)25(23,24)19-5-6-20-16(14-19)9-12-22(20)17-7-10-21-11-8-17;/h2-6,13-14,17,21H,7-12H2,1H3;1H
InChIKeyYKELYQVWLRMSBY-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile
CID 11711146
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(benzenesulfonyl)-2,3-dihydroindole
CID 11560775
(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol
CID 121204209
(5aR,10bR)-9-(3-methylphenyl)sulfonyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,5-b]indole;(5aR,10bR)-9-(4-methylphenyl)sulfonyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,5-b]indole
CID 158178543
4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid
CID 134607325
5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride
CID 11641098
1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile
CID 139805676
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline
CID 171525009
6-nitro-1-piperidin-4-yl-2,3-dihydroindole
CID 22037978

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride?
The IUPAC name of 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride (CID 11625342) is 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride.
What is the SMILES notation for 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride?
The canonical SMILES for 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride is Cc1cccc(S(=O)(=O)c2ccc3c(c2)CCN3C2CCNCC2)c1.Cl.
What is the InChIKey of 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride?
The InChIKey is YKELYQVWLRMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S.ClH/c1-15-3-2-4-18(13-15)25(23,24)19-5-6-20-16(14-19)9-12-22(20)17-7-10-21-11-8-17;/h2-6,13-14,17,21H,7-12H2,1H3;1H.
What are the key properties of 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride?
5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)sulfonyl-1-piperidin-4-yl-2,3-dihydroindole;hydrochloride is sourced from PubChem (CID 11625342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).