(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone

C13H16N6O3S — CID 28935289

IUPAC(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C13H16N6O3S/c1-23(21,22)18-8-6-17(7-9-18)13(20)11-2-4-12(5-3-11)19-10-14-15-16-19/h2-5,10H,6-9H2,1H3
InChIKeyFQADTOXJBHQUER-UHFFFAOYSA-N
MW336.38 g/mol
LogP-0.62
Rot. Bonds3

About (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone

(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 28935289) has the molecular formula C13H16N6O3S and a molecular weight of 336.38 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID28935289
Molecular FormulaC13H16N6O3S
Molecular Weight336.38 g/mol
Exact Mass336.10
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C13H16N6O3S/c1-23(21,22)18-8-6-17(7-9-18)13(20)11-2-4-12(5-3-11)19-10-14-15-16-19/h2-5,10H,6-9H2,1H3
InChIKeyFQADTOXJBHQUER-UHFFFAOYSA-N
XLogP-0.62
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934975
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 38573728
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 95197173
[4-[ethyl(propan-2-yl)amino]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51128361
(4-ethylsulfonylpiperazin-1-yl)-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 146083479
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
CID 47111544
(4-aminophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 119702202
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 138808160
N-[(3S,4R)-4-propyl-1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methanesulfonamide
CID 72887421

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone (CID 28935289) is (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone is CS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is FQADTOXJBHQUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3S/c1-23(21,22)18-8-6-17(7-9-18)13(20)11-2-4-12(5-3-11)19-10-14-15-16-19/h2-5,10H,6-9H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 336.38 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 28935289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).