1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole

C18H18N8O2S — CID 134982793

IUPAC1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole
SMILESCCCC(c1nnnn1-c1ccccc1)S(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H18N8O2S/c1-2-9-16(17-19-21-23-25(17)14-10-5-3-6-11-14)29(27,28)18-20-22-24-26(18)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3
InChIKeyCKHHZTHJCUQVHZ-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.95
Rot. Bonds7

About 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole

1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole (PubChem CID 134982793) has the molecular formula C18H18N8O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole
PubChem CID134982793
Molecular FormulaC18H18N8O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC Name1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole
SMILESCCCC(c1nnnn1-c1ccccc1)S(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H18N8O2S/c1-2-9-16(17-19-21-23-25(17)14-10-5-3-6-11-14)29(27,28)18-20-22-24-26(18)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3
InChIKeyCKHHZTHJCUQVHZ-UHFFFAOYSA-N
XLogP1.95
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
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CID 10707883
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
5-(6-phenoxyhex-1-en-3-ylsulfonyl)-1-phenyltetrazole
CID 175284257
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
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1-(1-phenyltetrazol-5-yl)hexan-3-ol
CID 79422541
2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid
CID 65224474
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfonylbutan-2-one
CID 50992481
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
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3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile
CID 3242053

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole?
The IUPAC name of 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole (CID 134982793) is 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole?
The canonical SMILES for 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole is CCCC(c1nnnn1-c1ccccc1)S(=O)(=O)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole?
The InChIKey is CKHHZTHJCUQVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2S/c1-2-9-16(17-19-21-23-25(17)14-10-5-3-6-11-14)29(27,28)18-20-22-24-26(18)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3.
What are the key properties of 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole?
1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole has a molecular weight of 410.46 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole is sourced from PubChem (CID 134982793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).