1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone

C20H19F3N6O3S — CID 26675509

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H19F3N6O3S/c21-20(22,23)16-6-4-5-15(13-16)19-24-26-29(25-19)14-18(30)27-9-11-28(12-10-27)33(31,32)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyAAOPSKLZRAPCCV-UHFFFAOYSA-N
MW480.47 g/mol
LogP1.89
Rot. Bonds5

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone (PubChem CID 26675509) has the molecular formula C20H19F3N6O3S and a molecular weight of 480.47 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
PubChem CID26675509
Molecular FormulaC20H19F3N6O3S
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H19F3N6O3S/c21-20(22,23)16-6-4-5-15(13-16)19-24-26-29(25-19)14-18(30)27-9-11-28(12-10-27)33(31,32)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyAAOPSKLZRAPCCV-UHFFFAOYSA-N
XLogP1.89
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 8681669
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 7419858
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
CID 4284998
N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2107021
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55339531
N,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
2-(2-chlorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 52897146
2-(4-methylpiperidin-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 78822372
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N'-[3-(trifluoromethyl)phenyl]butanehydrazide
CID 55509069
1-(4-tert-butylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 7844990
N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide
CID 55605549
N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 17487848

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone (CID 26675509) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The InChIKey is AAOPSKLZRAPCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S/c21-20(22,23)16-6-4-5-15(13-16)19-24-26-29(25-19)14-18(30)27-9-11-28(12-10-27)33(31,32)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone has a molecular weight of 480.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone is sourced from PubChem (CID 26675509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).