1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine

C19H23N7O3S — CID 29340040

IUPAC1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine
SMILESCCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C19H23N7O3S/c1-2-29-17-7-5-16(6-8-17)26-19(21-22-23-26)15-24-10-12-25(13-11-24)30(27,28)18-4-3-9-20-14-18/h3-9,14H,2,10-13,15H2,1H3
InChIKeyLEAYHXBKCBHJMO-UHFFFAOYSA-N
MW429.51 g/mol
LogP0.96
Rot. Bonds7

About 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine

1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine (PubChem CID 29340040) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine
PubChem CID29340040
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC Name1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine
SMILESCCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C19H23N7O3S/c1-2-29-17-7-5-16(6-8-17)26-19(21-22-23-26)15-24-10-12-25(13-11-24)30(27,28)18-4-3-9-20-14-18/h3-9,14H,2,10-13,15H2,1H3
InChIKeyLEAYHXBKCBHJMO-UHFFFAOYSA-N
XLogP0.96
TPSA106.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 29340042
1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 29340036
1-[(5-ethoxy-3-pyridinyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 167934401
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30858415
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858578
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30936153
2-(4-ethoxyphenyl)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937916
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 30938837
2-(4-ethoxyphenoxy)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937902
2-(4-ethoxyphenyl)-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937243
(2R)-1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 30858453

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine?
The IUPAC name of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine (CID 29340040) is 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine.
What is the SMILES notation for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine?
The canonical SMILES for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine is CCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine?
The InChIKey is LEAYHXBKCBHJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S/c1-2-29-17-7-5-16(6-8-17)26-19(21-22-23-26)15-24-10-12-25(13-11-24)30(27,28)18-4-3-9-20-14-18/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine?
1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine has a molecular weight of 429.51 g/mol, XLogP of 0.96, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine is sourced from PubChem (CID 29340040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).