3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine

C9H7F3N2O2S — CID 11043628

IUPAC3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine
SMILESCS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C9H7F3N2O2S/c1-17(15,16)7-4-2-6(3-5-7)8(13-14-8)9(10,11)12/h2-5H,1H3
InChIKeyCZTPCMCWWPDGLK-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.27
Rot. Bonds2

About 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine

3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine (PubChem CID 11043628) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine
PubChem CID11043628
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine
SMILESCS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C9H7F3N2O2S/c1-17(15,16)7-4-2-6(3-5-7)8(13-14-8)9(10,11)12/h2-5H,1H3
InChIKeyCZTPCMCWWPDGLK-UHFFFAOYSA-N
XLogP2.27
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzene-1-sulfonamide
CID 102423207
3-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzene-1-sulfonyl chloride
CID 122480740
4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzene-1-sulfonyl chloride
CID 131387026
3-(4-Methylsulfinylphenyl)-3-(trifluoromethyl)diazirine
CID 11128642
3-(3-Methylsulfinylphenyl)-3-(trifluoromethyl)diazirine
CID 15191103
[4-(4,4,4-Trifluorobutan-2-ylsulfonyl)phenyl]methanamine
CID 57655991
1-[(2S)-2-azido-3-fluoropropyl]-4-methylsulfonylbenzene
CID 59667762
1-(2-Azido-3-fluoropropyl)-4-methylsulfonylbenzene
CID 72352488
1-[4-(Trifluoromethylsulfonyl)phenyl]ethenamine
CID 89225388
1-(Azidomethyl)-4-(fluoromethylsulfonyl)benzene
CID 89768569
(4-((Difluoromethyl)sulfonyl)phenyl)methanamine
CID 89768747
3-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzene-1-sulfonamide
CID 122480715

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine (CID 11043628) is 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine is CS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine?
The InChIKey is CZTPCMCWWPDGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c1-17(15,16)7-4-2-6(3-5-7)8(13-14-8)9(10,11)12/h2-5H,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine?
3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine has a molecular weight of 264.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-3-(trifluoromethyl)diazirine is sourced from PubChem (CID 11043628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).