2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride

C20H21ClN2O2S — CID 141221127

IUPAC2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1ccc2cccc(C3CCNCC3)c2n1
InChIInChI=1S/C20H20N2O2S.ClH/c23-25(24,17-6-2-1-3-7-17)19-10-9-16-5-4-8-18(20(16)22-19)15-11-13-21-14-12-15;/h1-10,15,21H,11-14H2;1H
InChIKeyDUIUMHYHHRYRCL-UHFFFAOYSA-N
MW388.92 g/mol
LogP3.96
Rot. Bonds3

About 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride

2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride (PubChem CID 141221127) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride.

Molecular Properties

Compound Name2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride
PubChem CID141221127
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1ccc2cccc(C3CCNCC3)c2n1
InChIInChI=1S/C20H20N2O2S.ClH/c23-25(24,17-6-2-1-3-7-17)19-10-9-16-5-4-8-18(20(16)22-19)15-11-13-21-14-12-15;/h1-10,15,21H,11-14H2;1H
InChIKeyDUIUMHYHHRYRCL-UHFFFAOYSA-N
XLogP3.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride
CID 174440584
2-piperidin-4-ylnaphthalene-1-carboxylic acid
CID 67297193
2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole
CID 59730555
3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine
CID 66876690
8-pyrrolidin-3-ylquinoline;hydrochloride
CID 169498293
1-(benzenesulfonyl)-2-cyclopropylbenzene
CID 12644504
2-piperidin-4-ylbenzenesulfonyl chloride
CID 19811017
8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride
CID 162126753
2-piperidin-4-ylquinoline-8-carboxamide
CID 175300888
3-piperidin-4-ylchromen-2-one
CID 118037159
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
3-(benzenesulfonyl)-8-[(7S)-7-cycloheptyl-1,4-diazepan-1-yl]quinoline
CID 67960440

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride?
The IUPAC name of 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride (CID 141221127) is 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride.
What is the SMILES notation for 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride?
The canonical SMILES for 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride is Cl.O=S(=O)(c1ccccc1)c1ccc2cccc(C3CCNCC3)c2n1.
What is the InChIKey of 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride?
The InChIKey is DUIUMHYHHRYRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S.ClH/c23-25(24,17-6-2-1-3-7-17)19-10-9-16-5-4-8-18(20(16)22-19)15-11-13-21-14-12-15;/h1-10,15,21H,11-14H2;1H.
What are the key properties of 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride?
2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride has a molecular weight of 388.92 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride is sourced from PubChem (CID 141221127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).