[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone

C17H15FN4O4S — CID 3192482

IUPAC[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C17H15FN4O4S/c18-13-5-2-1-4-12(13)17(23)21-8-10-22(11-9-21)27(24,25)15-7-3-6-14-16(15)20-26-19-14/h1-7H,8-11H2
InChIKeyWSLPUWGDCKBEHL-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.51
Rot. Bonds3

About [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone

[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 3192482) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID3192482
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC Name[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C17H15FN4O4S/c18-13-5-2-1-4-12(13)17(23)21-8-10-22(11-9-21)27(24,25)15-7-3-6-14-16(15)20-26-19-14/h1-7H,8-11H2
InChIKeyWSLPUWGDCKBEHL-UHFFFAOYSA-N
XLogP1.51
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone (CID 3192482) is [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is WSLPUWGDCKBEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c18-13-5-2-1-4-12(13)17(23)21-8-10-22(11-9-21)27(24,25)15-7-3-6-14-16(15)20-26-19-14/h1-7H,8-11H2.
What are the key properties of [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 390.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 3192482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).