5-(difluoromethylsulfonyl)-1-phenyltetrazole

C8H6F2N4O2S — CID 138040752

IUPAC5-(difluoromethylsulfonyl)-1-phenyltetrazole
SMILESO=S(=O)(c1nnnn1-c1ccccc1)C(F)F
InChIInChI=1S/C8H6F2N4O2S/c9-7(10)17(15,16)8-11-12-13-14(8)6-4-2-1-3-5-6/h1-5,7H
InChIKeyWNLSBPHEZWSKQL-UHFFFAOYSA-N
MW260.23 g/mol
LogP0.66
Rot. Bonds3

About 5-(difluoromethylsulfonyl)-1-phenyltetrazole

5-(difluoromethylsulfonyl)-1-phenyltetrazole (PubChem CID 138040752) has the molecular formula C8H6F2N4O2S and a molecular weight of 260.23 g/mol. Its IUPAC name is 5-(difluoromethylsulfonyl)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(difluoromethylsulfonyl)-1-phenyltetrazole
PubChem CID138040752
Molecular FormulaC8H6F2N4O2S
Molecular Weight260.23 g/mol
Exact Mass260.02
IUPAC Name5-(difluoromethylsulfonyl)-1-phenyltetrazole
SMILESO=S(=O)(c1nnnn1-c1ccccc1)C(F)F
InChIInChI=1S/C8H6F2N4O2S/c9-7(10)17(15,16)8-11-12-13-14(8)6-4-2-1-3-5-6/h1-5,7H
InChIKeyWNLSBPHEZWSKQL-UHFFFAOYSA-N
XLogP0.66
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-1,2,3,4-Tetrazole, 1-(3-methylphenyl)-5-(methylsulfonyl)-
CID 5299256
Sodium 1-phenyl-1H-tetrazole-5-thiolate
CID 2735174
Stk291648
CID 4424052
N-{2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl}methanesulfonamide
CID 2222244
3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propanenitrile
CID 3242053
5-Ethylsulfonyl-1-phenyl-1H-tetrazole
CID 753662
1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide
CID 331766
5-(ethylthio)-1-phenyl-1H-tetrazole
CID 2223097
5-(Methanesulfonyl)-1-phenyl-1H-tetrazole
CID 285132
1-(2-chlorophenyl)-5-(methylsulfonyl)-1H-tetrazole
CID 714350
5-(Methylthio)-1-phenyl-1H-tetrazole
CID 285118
4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile
CID 656412

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfonyl)-1-phenyltetrazole?
The IUPAC name of 5-(difluoromethylsulfonyl)-1-phenyltetrazole (CID 138040752) is 5-(difluoromethylsulfonyl)-1-phenyltetrazole.
What is the SMILES notation for 5-(difluoromethylsulfonyl)-1-phenyltetrazole?
The canonical SMILES for 5-(difluoromethylsulfonyl)-1-phenyltetrazole is O=S(=O)(c1nnnn1-c1ccccc1)C(F)F.
What is the InChIKey of 5-(difluoromethylsulfonyl)-1-phenyltetrazole?
The InChIKey is WNLSBPHEZWSKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O2S/c9-7(10)17(15,16)8-11-12-13-14(8)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of 5-(difluoromethylsulfonyl)-1-phenyltetrazole?
5-(difluoromethylsulfonyl)-1-phenyltetrazole has a molecular weight of 260.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonyl)-1-phenyltetrazole is sourced from PubChem (CID 138040752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).