1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

C18H17F3N6O2S — CID 645209

IUPAC1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H17F3N6O2S/c19-18(20,21)14-5-4-8-16(13-14)30(28,29)26-11-9-25(10-12-26)17-22-23-24-27(17)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyFCYBWMWJYASWTR-UHFFFAOYSA-N
MW438.44 g/mol
LogP2.19
Rot. Bonds4

About 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 645209) has the molecular formula C18H17F3N6O2S and a molecular weight of 438.44 g/mol. Its IUPAC name is 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID645209
Molecular FormulaC18H17F3N6O2S
Molecular Weight438.44 g/mol
Exact Mass438.11
IUPAC Name1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H17F3N6O2S/c19-18(20,21)14-5-4-8-16(13-14)30(28,29)26-11-9-25(10-12-26)17-22-23-24-27(17)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyFCYBWMWJYASWTR-UHFFFAOYSA-N
XLogP2.19
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 645209) is 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is FCYBWMWJYASWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2S/c19-18(20,21)14-5-4-8-16(13-14)30(28,29)26-11-9-25(10-12-26)17-22-23-24-27(17)15-6-2-1-3-7-15/h1-8,13H,9-12H2.
What are the key properties of 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 438.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 645209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).