5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole

C9H7F3N4O2S — CID 23275242

IUPAC5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESCS(=O)(=O)c1nnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3N4O2S/c1-19(17,18)8-13-14-15-16(8)7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3
InChIKeyJGSZRHZJVWLNED-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.08
Rot. Bonds2

About 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole

5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 23275242) has the molecular formula C9H7F3N4O2S and a molecular weight of 292.24 g/mol. Its IUPAC name is 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID23275242
Molecular FormulaC9H7F3N4O2S
Molecular Weight292.24 g/mol
Exact Mass292.02
IUPAC Name5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESCS(=O)(=O)c1nnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3N4O2S/c1-19(17,18)8-13-14-15-16(8)7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3
InChIKeyJGSZRHZJVWLNED-UHFFFAOYSA-N
XLogP1.08
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole (CID 23275242) is 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole is CS(=O)(=O)c1nnnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is JGSZRHZJVWLNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2S/c1-19(17,18)8-13-14-15-16(8)7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3.
What are the key properties of 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole?
5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 292.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 23275242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).