1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine

C17H17ClN2O4S — CID 113076649

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN2O4S/c18-14-3-1-2-4-15(14)19-7-9-20(10-8-19)25(21,22)13-5-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2
InChIKeyQMPOVZHFDXUPBA-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.58
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine

1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine (PubChem CID 113076649) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine
PubChem CID113076649
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN2O4S/c18-14-3-1-2-4-15(14)19-7-9-20(10-8-19)25(21,22)13-5-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2
InChIKeyQMPOVZHFDXUPBA-UHFFFAOYSA-N
XLogP2.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 2098005
1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine
CID 3153760
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(3-chloro-4-fluorophenyl)piperazine
CID 113076985
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(1-phenylethyl)piperazine
CID 113074042
1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-4-(2-chlorophenyl)piperazine
CID 16884222
4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethyl]morpholine
CID 113073744
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
1-(1,3-benzodioxol-5-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 113098287
1-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 110817153
1-(2,6-difluorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 113081310

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine (CID 113076649) is 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine is O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine?
The InChIKey is QMPOVZHFDXUPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-14-3-1-2-4-15(14)19-7-9-20(10-8-19)25(21,22)13-5-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine?
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine has a molecular weight of 380.85 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine is sourced from PubChem (CID 113076649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).