2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride

C19H24ClN3O2S — CID 120763604

IUPAC2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2c(c1)CCCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H23N3O2S.ClH/c23-25(24,18-8-7-15-4-1-2-5-16(15)12-18)22-11-10-21-14-19(22)17-6-3-9-20-13-17;/h3,6-9,12-13,19,21H,1-2,4-5,10-11,14H2;1H
InChIKeyYWOZODKZLUSOEH-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.72
Rot. Bonds3

About 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride

2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride (PubChem CID 120763604) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
PubChem CID120763604
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2c(c1)CCCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H23N3O2S.ClH/c23-25(24,18-8-7-15-4-1-2-5-16(15)12-18)22-11-10-21-14-19(22)17-6-3-9-20-13-17;/h3,6-9,12-13,19,21H,1-2,4-5,10-11,14H2;1H
InChIKeyYWOZODKZLUSOEH-UHFFFAOYSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120764328
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 120764062
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 120763620
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride (CID 120763604) is 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(c1ccc2c(c1)CCCC2)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride?
The InChIKey is YWOZODKZLUSOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.ClH/c23-25(24,18-8-7-15-4-1-2-5-16(15)12-18)22-11-10-21-14-19(22)17-6-3-9-20-13-17;/h3,6-9,12-13,19,21H,1-2,4-5,10-11,14H2;1H.
What are the key properties of 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride?
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 120763604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).