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

C12H17ClN2O4S — CID 119961717

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc2c1OCCO2)N1CCNCC1
InChIInChI=1S/C12H16N2O4S.ClH/c15-19(16,14-6-4-13-5-7-14)11-3-1-2-10-12(11)18-9-8-17-10;/h1-3,13H,4-9H2;1H
InChIKeyYQBZMHJZOIDDPQ-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.47
Rot. Bonds2

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

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride (PubChem CID 119961717) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
PubChem CID119961717
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc2c1OCCO2)N1CCNCC1
InChIInChI=1S/C12H16N2O4S.ClH/c15-19(16,14-6-4-13-5-7-14)11-3-1-2-10-12(11)18-9-8-17-10;/h1-3,13H,4-9H2;1H
InChIKeyYQBZMHJZOIDDPQ-UHFFFAOYSA-N
XLogP0.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-((4-methoxyphenyl)sulfonyl)piperazine
CID 650361
1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
1-((2,6-Difluorophenyl)sulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25210493
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
CID 2455954
1-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-4-((3-fluorophenyl)sulfonyl)piperazine
CID 2460181
1,4-Bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 24420500
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methoxyphenyl)sulfonylpiperazine
CID 25243709
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 25243710
1-(Benzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243713
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 25243714
1-(2,4-Difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243715
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2,4,5-trifluorophenyl)sulfonylpiperazine
CID 25243716

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride (CID 119961717) is 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(c1cccc2c1OCCO2)N1CCNCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride?
The InChIKey is YQBZMHJZOIDDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S.ClH/c15-19(16,14-6-4-13-5-7-14)11-3-1-2-10-12(11)18-9-8-17-10;/h1-3,13H,4-9H2;1H.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride?
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride has a molecular weight of 320.80 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 119961717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).