1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine

C18H19FN6O2S — CID 24792298

IUPAC1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C18H19FN6O2S/c1-14-12-17(6-7-18(14)25-13-20-21-22-25)28(26,27)24-10-8-23(9-11-24)16-4-2-15(19)3-5-16/h2-7,12-13H,8-11H2,1H3
InChIKeyOACFYYWQLCHYPE-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.62
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine

1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (PubChem CID 24792298) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
PubChem CID24792298
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC Name1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C18H19FN6O2S/c1-14-12-17(6-7-18(14)25-13-20-21-22-25)28(26,27)24-10-8-23(9-11-24)16-4-2-15(19)3-5-16/h2-7,12-13H,8-11H2,1H3
InChIKeyOACFYYWQLCHYPE-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (CID 24792298) is 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1-n1cnnn1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The InChIKey is OACFYYWQLCHYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c1-14-12-17(6-7-18(14)25-13-20-21-22-25)28(26,27)24-10-8-23(9-11-24)16-4-2-15(19)3-5-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine has a molecular weight of 402.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 24792298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).