[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C18H17FN6O3S — CID 42535906

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN6O3S/c19-15-4-6-17(7-5-15)29(27,28)24-10-8-23(9-11-24)18(26)14-2-1-3-16(12-14)25-13-20-21-22-25/h1-7,12-13H,8-11H2
InChIKeyGPOJANKBASMODL-UHFFFAOYSA-N
MW416.44 g/mol
LogP0.95
Rot. Bonds4

About [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 42535906) has the molecular formula C18H17FN6O3S and a molecular weight of 416.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID42535906
Molecular FormulaC18H17FN6O3S
Molecular Weight416.44 g/mol
Exact Mass416.11
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN6O3S/c19-15-4-6-17(7-5-15)29(27,28)24-10-8-23(9-11-24)18(26)14-2-1-3-16(12-14)25-13-20-21-22-25/h1-7,12-13H,8-11H2
InChIKeyGPOJANKBASMODL-UHFFFAOYSA-N
XLogP0.95
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 32573936
(4-benzylsulfonylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 9298725
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 55474017
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934975
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 3718806
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 3214687
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 126477329
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 98067004
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181722

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 42535906) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is GPOJANKBASMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O3S/c19-15-4-6-17(7-5-15)29(27,28)24-10-8-23(9-11-24)18(26)14-2-1-3-16(12-14)25-13-20-21-22-25/h1-7,12-13H,8-11H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 416.44 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 42535906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).