4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide

C8H6F3N3O2S — CID 102423207

IUPAC4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)7(13-14-7)5-1-3-6(4-2-5)17(12,15)16/h1-4H,(H2,12,15,16)
InChIKeyZMTOICQMCRZYHK-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.51
Rot. Bonds2

About 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide

4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide (PubChem CID 102423207) has the molecular formula C8H6F3N3O2S and a molecular weight of 265.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide
PubChem CID102423207
Molecular FormulaC8H6F3N3O2S
Molecular Weight265.22 g/mol
Exact Mass265.01
IUPAC Name4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)7(13-14-7)5-1-3-6(4-2-5)17(12,15)16/h1-4H,(H2,12,15,16)
InChIKeyZMTOICQMCRZYHK-UHFFFAOYSA-N
XLogP1.51
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Heptadecafluorooctane-1-sulfonylamino)-methyl]-benzenesulfonamide
CID 10675931
4-[(Nonafluorobutane-1-sulfonylamino)-methyl]-benzenesulfonamide
CID 10695589
4-[(Trifluoromethylsulfonylamino)methyl]benzenesulfonamide
CID 4184455
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
4-(Azidomethyl)-2-fluorobenzenesulfonamide
CID 59667825
4-(Azidomethyl)-3-fluorobenzenesulfonamide
CID 59668055
N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91357753
3-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzene-1-sulfonamide
CID 122480715
3-[3-(Trifluoromethyl)diaziridin-3-yl]benzenesulfonamide
CID 134259786
4-(2-Aminopropan-2-yl)-3-fluorobenzenesulfonamide
CID 137698840

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide (CID 102423207) is 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide?
The InChIKey is ZMTOICQMCRZYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2S/c9-8(10,11)7(13-14-7)5-1-3-6(4-2-5)17(12,15)16/h1-4H,(H2,12,15,16).
What are the key properties of 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide?
4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide has a molecular weight of 265.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide is sourced from PubChem (CID 102423207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).