5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole

C15H19FN4O2S — CID 136517514

IUPAC5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole
SMILESCc1cc(-c2nnn(CC3(CS(C)(=O)=O)CCC3)n2)ccc1F
InChIInChI=1S/C15H19FN4O2S/c1-11-8-12(4-5-13(11)16)14-17-19-20(18-14)9-15(6-3-7-15)10-23(2,21)22/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyGWFBMUCRJIHQOZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.00
Rot. Bonds5

About 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole

5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole (PubChem CID 136517514) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole
PubChem CID136517514
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole
SMILESCc1cc(-c2nnn(CC3(CS(C)(=O)=O)CCC3)n2)ccc1F
InChIInChI=1S/C15H19FN4O2S/c1-11-8-12(4-5-13(11)16)14-17-19-20(18-14)9-15(6-3-7-15)10-23(2,21)22/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyGWFBMUCRJIHQOZ-UHFFFAOYSA-N
XLogP2.00
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide
CID 56790484
3-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-methylpropane-1-sulfonamide
CID 72014323
2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethane-1-sulfonyl fluoride
CID 16227082
5-(4-Ethylsulfonylphenyl)-2-[(4-fluorophenyl)methyl]tetrazole
CID 159643049
2-(2-fluorobenzyl)-5-(4-(methylsulfonyl)phenyl)-2H-tetrazole
CID 2991922
2-(4-fluorobenzyl)-5-(4-(methylsulfonyl)phenyl)-2H-tetrazole
CID 8035403
(3R)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 34483308
(3S)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 34483312
5-(3-Fluorophenyl)-2-(2-methylsulfonylethyl)tetrazole
CID 47010946
2-[3-(Benzenesulfonyl)propyl]-5-(3-fluorophenyl)tetrazole
CID 47051251
2-[3-(4-Fluorophenyl)sulfonylpropyl]-5-phenyltetrazole
CID 47077518
2-[3-(4-Fluorophenyl)sulfonylpropyl]-5-[3-(trifluoromethyl)phenyl]tetrazole
CID 47500778

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole (CID 136517514) is 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole is Cc1cc(-c2nnn(CC3(CS(C)(=O)=O)CCC3)n2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole?
The InChIKey is GWFBMUCRJIHQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-11-8-12(4-5-13(11)16)14-17-19-20(18-14)9-15(6-3-7-15)10-23(2,21)22/h4-5,8H,3,6-7,9-10H2,1-2H3.
What are the key properties of 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole?
5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole has a molecular weight of 338.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]tetrazole is sourced from PubChem (CID 136517514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).