5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole

C20H14F2N4O3S — CID 139699329

IUPAC5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole
SMILESCS(=O)(=O)c1ccc(-c2cc(-c3nn[nH]n3)ccc2Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H14F2N4O3S/c1-30(27,28)15-6-2-12(3-7-15)16-10-13(20-23-25-26-24-20)4-8-18(16)29-19-9-5-14(21)11-17(19)22/h2-11H,1H3,(H,23,24,25,26)
InChIKeyRNTPFHXVDPBZHS-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.01
Rot. Bonds5

About 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole

5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole (PubChem CID 139699329) has the molecular formula C20H14F2N4O3S and a molecular weight of 428.42 g/mol. Its IUPAC name is 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole
PubChem CID139699329
Molecular FormulaC20H14F2N4O3S
Molecular Weight428.42 g/mol
Exact Mass428.08
IUPAC Name5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole
SMILESCS(=O)(=O)c1ccc(-c2cc(-c3nn[nH]n3)ccc2Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H14F2N4O3S/c1-30(27,28)15-6-2-12(3-7-15)16-10-13(20-23-25-26-24-20)4-8-18(16)29-19-9-5-14(21)11-17(19)22/h2-11H,1H3,(H,23,24,25,26)
InChIKeyRNTPFHXVDPBZHS-UHFFFAOYSA-N
XLogP4.01
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
CID 118022172
6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 134516589
5-[4-(2,3-difluorophenyl)-5-(4-methylsulfonylphenyl)thiophen-2-yl]-2H-tetrazole
CID 174704375
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428
5-(3,4-difluorophenyl)-2H-tetrazole
CID 43658630
5-(4-bromo-3-fluorophenyl)-2H-tetrazole
CID 131599403
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
2-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one
CID 142646708
2-[(2,4-difluorophenyl)methyl]-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine
CID 45267733
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
[5-(2,4-difluorophenoxy)-6-(4-methylsulfonylphenyl)-4-oxopyran-2-yl]methyl acetate
CID 90685029
N-[4-(2,4-difluorophenoxy)-3-(2-methyl-1-oxidopyridin-1-ium-4-yl)phenyl]ethanesulfonamide
CID 175720317

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole (CID 139699329) is 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole is CS(=O)(=O)c1ccc(-c2cc(-c3nn[nH]n3)ccc2Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole?
The InChIKey is RNTPFHXVDPBZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3S/c1-30(27,28)15-6-2-12(3-7-15)16-10-13(20-23-25-26-24-20)4-8-18(16)29-19-9-5-14(21)11-17(19)22/h2-11H,1H3,(H,23,24,25,26).
What are the key properties of 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole?
5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole has a molecular weight of 428.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 139699329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).