1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine

C18H19FN2O3S — CID 120764723

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3S/c19-15-3-1-2-13(10-15)17-12-20-7-8-21(17)25(22,23)16-4-5-18-14(11-16)6-9-24-18/h1-5,10-11,17,20H,6-9,12H2
InChIKeyCIBMBKKEGZUGIP-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.10
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine (PubChem CID 120764723) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine
PubChem CID120764723
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3S/c19-15-3-1-2-13(10-15)17-12-20-7-8-21(17)25(22,23)16-4-5-18-14(11-16)6-9-24-18/h1-5,10-11,17,20H,6-9,12H2
InChIKeyCIBMBKKEGZUGIP-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine 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-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine (CID 120764723) is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine is O=S(=O)(c1ccc2c(c1)CCO2)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine?
The InChIKey is CIBMBKKEGZUGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-15-3-1-2-13(10-15)17-12-20-7-8-21(17)25(22,23)16-4-5-18-14(11-16)6-9-24-18/h1-5,10-11,17,20H,6-9,12H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine?
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine has a molecular weight of 362.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-(3-fluorophenyl)piperazine is sourced from PubChem (CID 120764723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).