4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride

C15H20Cl4N2O2S — CID 120714269

IUPAC4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
SMILESCl.O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H19Cl3N2O2S.ClH/c16-11-8-12(17)15(13(18)9-11)23(21,22)20-6-3-10(4-7-20)14-2-1-5-19-14;/h8-10,14,19H,1-7H2;1H
InChIKeyCLLWDPLXSIVPKX-UHFFFAOYSA-N
MW434.22 g/mol
LogP4.22
Rot. Bonds3

About 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride

4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride (PubChem CID 120714269) has the molecular formula C15H20Cl4N2O2S and a molecular weight of 434.22 g/mol. Its IUPAC name is 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
PubChem CID120714269
Molecular FormulaC15H20Cl4N2O2S
Molecular Weight434.22 g/mol
Exact Mass432.00
IUPAC Name4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
SMILESCl.O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H19Cl3N2O2S.ClH/c16-11-8-12(17)15(13(18)9-11)23(21,22)20-6-3-10(4-7-20)14-2-1-5-19-14;/h8-10,14,19H,1-7H2;1H
InChIKeyCLLWDPLXSIVPKX-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288
1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 106315252
1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714170
1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714276
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
3-(2,4,6-trichlorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314141
1-(2-bromo-4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714383
3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole
CID 63259650
(3R)-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-amine
CID 115301799

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride?
The IUPAC name of 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride (CID 120714269) is 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride is Cl.O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride?
The InChIKey is CLLWDPLXSIVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl3N2O2S.ClH/c16-11-8-12(17)15(13(18)9-11)23(21,22)20-6-3-10(4-7-20)14-2-1-5-19-14;/h8-10,14,19H,1-7H2;1H.
What are the key properties of 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride?
4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride has a molecular weight of 434.22 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride is sourced from PubChem (CID 120714269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).