2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole

C17H16FN3O2S2 — CID 3192496

IUPAC2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C17H16FN3O2S2/c18-13-5-1-4-8-16(13)25(22,23)21-11-9-20(10-12-21)17-19-14-6-2-3-7-15(14)24-17/h1-8H,9-12H2
InChIKeyAFNNEDHXTUEHEH-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.95
Rot. Bonds3

About 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole (PubChem CID 3192496) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
PubChem CID3192496
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C17H16FN3O2S2/c18-13-5-1-4-8-16(13)25(22,23)21-11-9-20(10-12-21)17-19-14-6-2-3-7-15(14)24-17/h1-8H,9-12H2
InChIKeyAFNNEDHXTUEHEH-UHFFFAOYSA-N
XLogP2.95
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole (CID 3192496) is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole is O=S(=O)(c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole?
The InChIKey is AFNNEDHXTUEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c18-13-5-1-4-8-16(13)25(22,23)21-11-9-20(10-12-21)17-19-14-6-2-3-7-15(14)24-17/h1-8H,9-12H2.
What are the key properties of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole?
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole has a molecular weight of 377.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 3192496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).