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

C8H6F3N3O2S — CID 122480715

IUPAC3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)7(13-14-7)5-2-1-3-6(4-5)17(12,15)16/h1-4H,(H2,12,15,16)
InChIKeyXNMXSSXCWVHOAC-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.51
Rot. Bonds2

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

3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide (PubChem CID 122480715) has the molecular formula C8H6F3N3O2S and a molecular weight of 265.22 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide
PubChem CID122480715
Molecular FormulaC8H6F3N3O2S
Molecular Weight265.22 g/mol
Exact Mass265.01
IUPAC Name3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)7(13-14-7)5-2-1-3-6(4-5)17(12,15)16/h1-4H,(H2,12,15,16)
InChIKeyXNMXSSXCWVHOAC-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

3-(aminomethyl)-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
CID 24698105
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-(3-Methylsulfinylphenyl)-3-(trifluoromethyl)diazirine
CID 15191103
2-(Azidomethyl)-5-(fluoromethyl)benzenesulfonamide
CID 91437934
1-Methyl-3-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]sulfonylurea
CID 134258238
3-[3-(Trifluoromethyl)diaziridin-3-yl]benzenesulfonamide
CID 134259786
3-[3-(Trifluoromethyl)diaziridin-3-yl]benzenesulfonyl chloride
CID 134259787
N-tert-butyl-2-methyl-5-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide
CID 140174771
2-Methyl-4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride
CID 140174774
N-tert-butyl-2-methyl-4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide
CID 140174775

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide?
The IUPAC name of 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide (CID 122480715) is 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(C2(C(F)(F)F)N=N2)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide?
The InChIKey is XNMXSSXCWVHOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2S/c9-8(10,11)7(13-14-7)5-2-1-3-6(4-5)17(12,15)16/h1-4H,(H2,12,15,16).
What are the key properties of 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide?
3-[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 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide is sourced from PubChem (CID 122480715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).