1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide

C8H8F3NO3S2 — CID 15369927

IUPAC1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide
SMILESCS(=O)(=NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C8H8F3NO3S2/c1-16(13,7-5-3-2-4-6-7)12-17(14,15)8(9,10)11/h2-6H,1H3
InChIKeyKZGAAUKUDVDXMN-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.99
Rot. Bonds2

About 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide

1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide (PubChem CID 15369927) has the molecular formula C8H8F3NO3S2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide
PubChem CID15369927
Molecular FormulaC8H8F3NO3S2
Molecular Weight287.28 g/mol
Exact Mass286.99
IUPAC Name1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide
SMILESCS(=O)(=NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C8H8F3NO3S2/c1-16(13,7-5-3-2-4-6-7)12-17(14,15)8(9,10)11/h2-6H,1H3
InChIKeyKZGAAUKUDVDXMN-UHFFFAOYSA-N
XLogP1.99
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
(Ethylsulphonyl)benzene
CID 69032
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Butyl phenyl sulfone
CID 238507
N-[bis(methylsulfanyl)methylidene]benzenesulfonamide
CID 727967
4-(Methanesulfonyl)benzene-1-sulfonamide
CID 120313
((1-Methylethyl)sulfonyl)benzene
CID 199476
1-Fluoro-4-(methylsulphonyl)benzene
CID 67994
Methoxymethyl Phenyl Sulfone
CID 366072

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide (CID 15369927) is 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide is CS(=O)(=NS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide?
The InChIKey is KZGAAUKUDVDXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S2/c1-16(13,7-5-3-2-4-6-7)12-17(14,15)8(9,10)11/h2-6H,1H3.
What are the key properties of 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide?
1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide has a molecular weight of 287.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)methanesulfonamide is sourced from PubChem (CID 15369927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).