1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride

C17H18Cl2N2O4S — CID 120765302

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2c(c1)OCO2)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O4S.ClH/c18-14-4-2-1-3-13(14)15-10-19-7-8-20(15)25(21,22)12-5-6-16-17(9-12)24-11-23-16;/h1-6,9,15,19H,7-8,10-11H2;1H
InChIKeyLHOYCOGLHUNIAQ-UHFFFAOYSA-N
MW417.31 g/mol
LogP2.83
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride

1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride (PubChem CID 120765302) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
PubChem CID120765302
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2c(c1)OCO2)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O4S.ClH/c18-14-4-2-1-3-13(14)15-10-19-7-8-20(15)25(21,22)12-5-6-16-17(9-12)24-11-23-16;/h1-6,9,15,19H,7-8,10-11H2;1H
InChIKeyLHOYCOGLHUNIAQ-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
CID 120765181
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
1,3-benzodioxol-5-yl-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120739017
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120765068
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092
2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765172
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine
CID 113076649
5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120765306

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride (CID 120765302) is 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride is Cl.O=S(=O)(c1ccc2c(c1)OCO2)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride?
The InChIKey is LHOYCOGLHUNIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S.ClH/c18-14-4-2-1-3-13(14)15-10-19-7-8-20(15)25(21,22)12-5-6-16-17(9-12)24-11-23-16;/h1-6,9,15,19H,7-8,10-11H2;1H.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride?
1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride has a molecular weight of 417.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 120765302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).