ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide

C11H14F3NO2S2 — CID 144815079

IUPACethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide
SMILESC=Cc1ccc(SNS(=O)(=O)C(F)(F)F)cc1.CC
InChIInChI=1S/C9H8F3NO2S2.C2H6/c1-2-7-3-5-8(6-4-7)16-13-17(14,15)9(10,11)12;1-2/h2-6,13H,1H2;1-2H3
InChIKeyZUAUQRYWLILACZ-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.80
Rot. Bonds4

About ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide

ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 144815079) has the molecular formula C11H14F3NO2S2 and a molecular weight of 313.37 g/mol. Its IUPAC name is ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound Nameethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide
PubChem CID144815079
Molecular FormulaC11H14F3NO2S2
Molecular Weight313.37 g/mol
Exact Mass313.04
IUPAC Nameethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide
SMILESC=Cc1ccc(SNS(=O)(=O)C(F)(F)F)cc1.CC
InChIInChI=1S/C9H8F3NO2S2.C2H6/c1-2-7-3-5-8(6-4-7)16-13-17(14,15)9(10,11)12;1-2/h2-6,13H,1H2;1-2H3
InChIKeyZUAUQRYWLILACZ-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol
CID 170699603
methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate
CID 118906553
1-(tert-butyldisulfanyl)-4-ethenylbenzene
CID 118023174
1-ethenyl-4-hydroxysulfanylbenzene;2-methylpropan-2-ol
CID 142446449
2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid
CID 91049089
2-(4-ethenylphenyl)-2,2-difluoroacetic acid
CID 154126717
azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 15328821
ethane;4-ethenylbenzaldehyde;methanol
CID 145257889
ethane;methanol;styrene;1,1,1-trifluoroethane
CID 91236392
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
(4-ethenylanilino)sulfamic acid
CID 141014770
(4-ethenylphenyl)-difluoromethanesulfonamide
CID 175410018

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide (CID 144815079) is ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide is C=Cc1ccc(SNS(=O)(=O)C(F)(F)F)cc1.CC.
What is the InChIKey of ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ZUAUQRYWLILACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S2.C2H6/c1-2-7-3-5-8(6-4-7)16-13-17(14,15)9(10,11)12;1-2/h2-6,13H,1H2;1-2H3.
What are the key properties of ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide?
ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 313.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 144815079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).