3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride

C8H4ClF3N2O2S — CID 122480740

IUPAC3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C8H4ClF3N2O2S/c9-17(15,16)6-3-1-2-5(4-6)7(13-14-7)8(10,11)12/h1-4H
InChIKeyLQWSIPCBLRHYBE-UHFFFAOYSA-N
MW284.65 g/mol
LogP2.80
Rot. Bonds2

About 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride

3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride (PubChem CID 122480740) has the molecular formula C8H4ClF3N2O2S and a molecular weight of 284.65 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride
PubChem CID122480740
Molecular FormulaC8H4ClF3N2O2S
Molecular Weight284.65 g/mol
Exact Mass283.96
IUPAC Name3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C8H4ClF3N2O2S/c9-17(15,16)6-3-1-2-5(4-6)7(13-14-7)8(10,11)12/h1-4H
InChIKeyLQWSIPCBLRHYBE-UHFFFAOYSA-N
XLogP2.80
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzene-1-sulfonamide
CID 102423207
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
3-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzene-1-sulfonamide
CID 122480715
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
2-Methyl-5-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride
CID 140174776
4-[3-(Trifluoromethyl)diazirin-3-yl]benzenethiol
CID 169246529
3-(4-Methylsulfonylphenyl)-3-(trifluoromethyl)diazirine
CID 11043628

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride?
The IUPAC name of 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride (CID 122480740) is 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride.
What is the SMILES notation for 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride?
The canonical SMILES for 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(C2(C(F)(F)F)N=N2)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride?
The InChIKey is LQWSIPCBLRHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2O2S/c9-17(15,16)6-3-1-2-5(4-6)7(13-14-7)8(10,11)12/h1-4H.
What are the key properties of 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride?
3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride has a molecular weight of 284.65 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride is sourced from PubChem (CID 122480740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).