2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine

C19H21FN2O3S — CID 120764955

IUPAC2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine
SMILESCC1Cc2cc(S(=O)(=O)N3CCNCC3c3cccc(F)c3)ccc2O1
InChIInChI=1S/C19H21FN2O3S/c1-13-9-15-11-17(5-6-19(15)25-13)26(23,24)22-8-7-21-12-18(22)14-3-2-4-16(20)10-14/h2-6,10-11,13,18,21H,7-9,12H2,1H3
InChIKeyFHBZIXLLDQIWIX-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.48
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine

2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine (PubChem CID 120764955) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine
PubChem CID120764955
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine
SMILESCC1Cc2cc(S(=O)(=O)N3CCNCC3c3cccc(F)c3)ccc2O1
InChIInChI=1S/C19H21FN2O3S/c1-13-9-15-11-17(5-6-19(15)25-13)26(23,24)22-8-7-21-12-18(22)14-3-2-4-16(20)10-14/h2-6,10-11,13,18,21H,7-9,12H2,1H3
InChIKeyFHBZIXLLDQIWIX-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine?
The IUPAC name of 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine (CID 120764955) is 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine is CC1Cc2cc(S(=O)(=O)N3CCNCC3c3cccc(F)c3)ccc2O1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine?
The InChIKey is FHBZIXLLDQIWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-13-9-15-11-17(5-6-19(15)25-13)26(23,24)22-8-7-21-12-18(22)14-3-2-4-16(20)10-14/h2-6,10-11,13,18,21H,7-9,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine?
2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine has a molecular weight of 376.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine is sourced from PubChem (CID 120764955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).