5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole

C14H17FN4O3S — CID 167962035

IUPAC5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole
SMILESO=S(=O)(CCOC1CCC1)Cc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C14H17FN4O3S/c15-11-4-6-12(7-5-11)19-14(16-17-18-19)10-23(20,21)9-8-22-13-2-1-3-13/h4-7,13H,1-3,8-10H2
InChIKeyVYVMMSOICOHEOY-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.29
Rot. Bonds7

About 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole

5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole (PubChem CID 167962035) has the molecular formula C14H17FN4O3S and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole
PubChem CID167962035
Molecular FormulaC14H17FN4O3S
Molecular Weight340.38 g/mol
Exact Mass340.10
IUPAC Name5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole
SMILESO=S(=O)(CCOC1CCC1)Cc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C14H17FN4O3S/c15-11-4-6-12(7-5-11)19-14(16-17-18-19)10-23(20,21)9-8-22-13-2-1-3-13/h4-7,13H,1-3,8-10H2
InChIKeyVYVMMSOICOHEOY-UHFFFAOYSA-N
XLogP1.29
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]acetamide
CID 16799275
1-(2,5-difluorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339724
1-(4-fluorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,4-diazepane
CID 55988188
3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]imidazo[4,5-b]pyrazine
CID 166395359
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339732
4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
CID 133422212
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
1-(3,4-dimethylphenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339747
5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole
CID 19798559
ethyl 2-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-oxoacetate
CID 30937013
(Z)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]but-2-enamide
CID 18565795

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole?
The IUPAC name of 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole (CID 167962035) is 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole?
The canonical SMILES for 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole is O=S(=O)(CCOC1CCC1)Cc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole?
The InChIKey is VYVMMSOICOHEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O3S/c15-11-4-6-12(7-5-11)19-14(16-17-18-19)10-23(20,21)9-8-22-13-2-1-3-13/h4-7,13H,1-3,8-10H2.
What are the key properties of 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole?
5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole has a molecular weight of 340.38 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyloxyethylsulfonylmethyl)-1-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 167962035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).