1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride

C17H20ClN3O4S — CID 120763650

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc2c1OCCO2)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H19N3O4S.ClH/c21-25(22,16-5-1-4-15-17(16)24-10-9-23-15)20-8-7-19-12-14(20)13-3-2-6-18-11-13;/h1-6,11,14,19H,7-10,12H2;1H
InChIKeyWNFIWRNRZGTXAZ-UHFFFAOYSA-N
MW397.88 g/mol
LogP1.61
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120763650) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120763650
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc2c1OCCO2)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H19N3O4S.ClH/c21-25(22,16-5-1-4-15-17(16)24-10-9-23-15)20-8-7-19-12-14(20)13-3-2-6-18-11-13;/h1-6,11,14,19H,7-10,12H2;1H
InChIKeyWNFIWRNRZGTXAZ-UHFFFAOYSA-N
XLogP1.61
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
CID 120776793
1-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694
1-(2-bromo-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764349
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763688
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(5-bromo-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763612
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride (CID 120763650) is 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride is Cl.O=S(=O)(c1cccc2c1OCCO2)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is WNFIWRNRZGTXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S.ClH/c21-25(22,16-5-1-4-15-17(16)24-10-9-23-15)20-8-7-19-12-14(20)13-3-2-6-18-11-13;/h1-6,11,14,19H,7-10,12H2;1H.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 397.88 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120763650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).