N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide

C9H8F3NO3S2 — CID 138974658

IUPACN-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide
SMILESC=CS(=O)(=NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H8F3NO3S2/c1-2-17(14,8-6-4-3-5-7-8)13-18(15,16)9(10,11)12/h2-7H,1H2
InChIKeyPAYAETBSOUCMON-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.51
Rot. Bonds3

About N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide

N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide (PubChem CID 138974658) has the molecular formula C9H8F3NO3S2 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide
PubChem CID138974658
Molecular FormulaC9H8F3NO3S2
Molecular Weight299.30 g/mol
Exact Mass298.99
IUPAC NameN-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide
SMILESC=CS(=O)(=NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H8F3NO3S2/c1-2-17(14,8-6-4-3-5-7-8)13-18(15,16)9(10,11)12/h2-7H,1H2
InChIKeyPAYAETBSOUCMON-UHFFFAOYSA-N
XLogP2.51
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[dichloro(fluoro)methyl]-oxo-phenyl-λ6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 56590770
potassium bis[S-phenyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]azanide
CID 11215529
ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane
CID 102292160
(113C)ethenylsulfonylbenzene
CID 66995821
2-[(ethenyl-oxo-phenyl-lambda6-sulfanylidene)amino]isoindole-1,3-dione
CID 12965865
benzenesulfonic acid;ethenamine
CID 175283513
ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane
CID 102292168
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
ethane;trifluoromethylsulfonylbenzene
CID 144556552
3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene
CID 10922506
benzenesulfonic acid
CID 87196622
2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide
CID 102442189

Frequently Asked Questions

What is the IUPAC name of N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide (CID 138974658) is N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide is C=CS(=O)(=NS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is PAYAETBSOUCMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S2/c1-2-17(14,8-6-4-3-5-7-8)13-18(15,16)9(10,11)12/h2-7H,1H2.
What are the key properties of N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide?
N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethenyl-oxo-phenyl-λ6-sulfanylidene)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 138974658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).