1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine

C16H16Cl2N2O4S2 — CID 2811366

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H16Cl2N2O4S2/c17-15-8-14(16(18)25-15)26(21,22)20-5-3-19(4-6-20)9-11-1-2-12-13(7-11)24-10-23-12/h1-2,7-8H,3-6,9-10H2
InChIKeyLXDUQEBHZKIMHQ-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.29
Rot. Bonds4

About 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine

1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine (PubChem CID 2811366) has the molecular formula C16H16Cl2N2O4S2 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
PubChem CID2811366
Molecular FormulaC16H16Cl2N2O4S2
Molecular Weight435.35 g/mol
Exact Mass433.99
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C16H16Cl2N2O4S2/c17-15-8-14(16(18)25-15)26(21,22)20-5-3-19(4-6-20)9-11-1-2-12-13(7-11)24-10-23-12/h1-2,7-8H,3-6,9-10H2
InChIKeyLXDUQEBHZKIMHQ-UHFFFAOYSA-N
XLogP3.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine (CID 2811366) is 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine is O=S(=O)(c1cc(Cl)sc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine?
The InChIKey is LXDUQEBHZKIMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S2/c17-15-8-14(16(18)25-15)26(21,22)20-5-3-19(4-6-20)9-11-1-2-12-13(7-11)24-10-23-12/h1-2,7-8H,3-6,9-10H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine?
1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine has a molecular weight of 435.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine is sourced from PubChem (CID 2811366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).