4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole

C16H15FN4O3S — CID 120764643

IUPAC4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H15FN4O3S/c17-12-4-1-3-11(9-12)14-10-18-7-8-21(14)25(22,23)15-6-2-5-13-16(15)20-24-19-13/h1-6,9,14,18H,7-8,10H2
InChIKeyBZKOOSBBSHLDDH-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.70
Rot. Bonds3

About 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole

4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole (PubChem CID 120764643) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
PubChem CID120764643
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC Name4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1cccc2nonc12)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H15FN4O3S/c17-12-4-1-3-11(9-12)14-10-18-7-8-21(14)25(22,23)15-6-2-5-13-16(15)20-24-19-13/h1-6,9,14,18H,7-8,10H2
InChIKeyBZKOOSBBSHLDDH-UHFFFAOYSA-N
XLogP1.70
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 120763173
2-(3-fluorophenyl)-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764840
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
methyl 3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzoate;hydrochloride
CID 120764505
methyl 2-fluoro-6-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 120764903
methyl 4-fluoro-2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120764590
3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylbenzonitrile
CID 120764745
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764720
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride
CID 120764447
2-(3-fluorophenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 120764989

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole (CID 120764643) is 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole is O=S(=O)(c1cccc2nonc12)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is BZKOOSBBSHLDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c17-12-4-1-3-11(9-12)14-10-18-7-8-21(14)25(22,23)15-6-2-5-13-16(15)20-24-19-13/h1-6,9,14,18H,7-8,10H2.
What are the key properties of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 362.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 120764643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).