1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine

C17H18N2O4S — CID 3153760

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N2O4S/c20-24(21,15-6-7-16-17(12-15)23-13-22-16)19-10-8-18(9-11-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyUUQPVOSOSQITKE-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.93
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine

1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine (PubChem CID 3153760) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine
PubChem CID3153760
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N2O4S/c20-24(21,15-6-7-16-17(12-15)23-13-22-16)19-10-8-18(9-11-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyUUQPVOSOSQITKE-UHFFFAOYSA-N
XLogP1.93
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine
CID 113076649
4-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-1-phenylpiperazine
CID 110658063
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(3-chloro-4-fluorophenyl)piperazine
CID 113076985
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(1-phenylethyl)piperazine
CID 113074042
4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethyl]morpholine
CID 113073744
1-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 2098005
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406
1-(1,3-benzodioxol-5-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 113098287
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
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
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine (CID 3153760) is 1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine is O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine?
The InChIKey is UUQPVOSOSQITKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-24(21,15-6-7-16-17(12-15)23-13-22-16)19-10-8-18(9-11-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine?
1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine has a molecular weight of 346.41 g/mol, XLogP of 1.93, 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-phenylpiperazine is sourced from PubChem (CID 3153760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).