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

C18H20Cl2N2O4S — CID 120776793

IUPAC2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc2c1OCCO2)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O4S.ClH/c19-14-4-1-3-13(11-14)15-12-20-7-8-21(15)26(22,23)17-6-2-5-16-18(17)25-10-9-24-16;/h1-6,11,15,20H,7-10,12H2;1H
InChIKeyIZJAHAFVAJAZCN-UHFFFAOYSA-N
MW431.34 g/mol
LogP2.87
Rot. Bonds3

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

2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride (PubChem CID 120776793) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
PubChem CID120776793
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc2c1OCCO2)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O4S.ClH/c19-14-4-1-3-13(11-14)15-12-20-7-8-21(15)26(22,23)17-6-2-5-16-18(17)25-10-9-24-16;/h1-6,11,15,20H,7-10,12H2;1H
InChIKeyIZJAHAFVAJAZCN-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763650
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
CID 120777039
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120776773
[2-(3-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 120802318
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 120776845
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
CID 119961717
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate
CID 120776778
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764720

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride (CID 120776793) is 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(c1cccc2c1OCCO2)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride?
The InChIKey is IZJAHAFVAJAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S.ClH/c19-14-4-1-3-13(11-14)15-12-20-7-8-21(15)26(22,23)17-6-2-5-16-18(17)25-10-9-24-16;/h1-6,11,15,20H,7-10,12H2;1H.
What are the key properties of 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride?
2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride has a molecular weight of 431.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 120776793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).