4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol

C14H10F2N4OS — CID 2809870

IUPAC4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H10F2N4OS/c15-10-5-9(6-11(16)7-10)8-22-14-17-18-19-20(14)12-1-3-13(21)4-2-12/h1-7,21H,8H2
InChIKeyJPEYLJRXDVIZEN-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.94
Rot. Bonds4

About 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 2809870) has the molecular formula C14H10F2N4OS and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID2809870
Molecular FormulaC14H10F2N4OS
Molecular Weight320.32 g/mol
Exact Mass320.05
IUPAC Name4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H10F2N4OS/c15-10-5-9(6-11(16)7-10)8-22-14-17-18-19-20(14)12-1-3-13(21)4-2-12/h1-7,21H,8H2
InChIKeyJPEYLJRXDVIZEN-UHFFFAOYSA-N
XLogP2.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-2-(1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio)ethanone
CID 2809808
4-nitro-2-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}phenol
CID 836732
4-[5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 2823574
3-[5-[(2-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 949809
4-{5-[(2-bromobenzyl)sulfanyl]-1H-tetraazol-1-yl}phenol
CID 1017455
4-[5-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 4815411
1-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 4968520
4-[5-[(5-Fluoro-2-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 8177315
5-[(4-Methoxyphenyl)methylsulfanyl]-1-phenyltetrazole
CID 773480
4-[5-[(3-Methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 2126769
4-[5-[[6-(Hydroxymethyl)dithiin-3-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 462643
5-[(4-Fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole
CID 6483380

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol (CID 2809870) is 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2SCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is JPEYLJRXDVIZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4OS/c15-10-5-9(6-11(16)7-10)8-22-14-17-18-19-20(14)12-1-3-13(21)4-2-12/h1-7,21H,8H2.
What are the key properties of 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 320.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,5-difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 2809870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).