4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide

C9H5F6NO4S2 — CID 89334005

IUPAC4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)c1ccc(C(F)=C(F)F)cc1
InChIInChI=1S/C9H5F6NO4S2/c10-7(8(11)12)5-1-3-6(4-2-5)21(17,18)16-22(19,20)9(13,14)15/h1-4,16H
InChIKeyPREGUNRQMGYABN-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.35
Rot. Bonds4

About 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide

4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide (PubChem CID 89334005) has the molecular formula C9H5F6NO4S2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
PubChem CID89334005
Molecular FormulaC9H5F6NO4S2
Molecular Weight369.26 g/mol
Exact Mass368.96
IUPAC Name4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)c1ccc(C(F)=C(F)F)cc1
InChIInChI=1S/C9H5F6NO4S2/c10-7(8(11)12)5-1-3-6(4-2-5)21(17,18)16-22(19,20)9(13,14)15/h1-4,16H
InChIKeyPREGUNRQMGYABN-UHFFFAOYSA-N
XLogP2.35
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium
CID 102111013
lithium 4-(1,2,2-trifluoroethenyl)benzenesulfonate
CID 87648638
ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 144895796
6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide
CID 139422293
4-(2,5-dimethylhexan-3-yl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 156529293
N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
CID 126606304
4-(1-propoxypropan-2-yl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 155765023
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928
copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 161328389
methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate
CID 118906553
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide?
The IUPAC name of 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide (CID 89334005) is 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide?
The canonical SMILES for 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)F)c1ccc(C(F)=C(F)F)cc1.
What is the InChIKey of 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide?
The InChIKey is PREGUNRQMGYABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO4S2/c10-7(8(11)12)5-1-3-6(4-2-5)21(17,18)16-22(19,20)9(13,14)15/h1-4,16H.
What are the key properties of 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide?
4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide has a molecular weight of 369.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 89334005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).