1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone

C20H22N6O3S — CID 4284998

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccccc1-c1nnn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C20H22N6O3S/c1-16-7-5-6-10-18(16)20-21-23-26(22-20)15-19(27)24-11-13-25(14-12-24)30(28,29)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
InChIKeySUXGKHPMHMOLPH-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.18
Rot. Bonds5

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone (PubChem CID 4284998) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
PubChem CID4284998
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccccc1-c1nnn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C20H22N6O3S/c1-16-7-5-6-10-18(16)20-21-23-26(22-20)15-19(27)24-11-13-25(14-12-24)30(28,29)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
InChIKeySUXGKHPMHMOLPH-UHFFFAOYSA-N
XLogP1.18
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 26675509
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 26865936
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
CID 41113449
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 95971117
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804141
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 7350524
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 20972587
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7519252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone (CID 4284998) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone is Cc1ccccc1-c1nnn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is SUXGKHPMHMOLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-16-7-5-6-10-18(16)20-21-23-26(22-20)15-19(27)24-11-13-25(14-12-24)30(28,29)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone?
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 426.50 g/mol, XLogP of 1.18, 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-(2-methylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 4284998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).