2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide

C9H9F3N2O5S2 — CID 175108202

IUPAC2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide
SMILESNS(=O)(=O)C(=Cc1ccc(OC(F)(F)F)cc1)S(N)(=O)=O
InChIInChI=1S/C9H9F3N2O5S2/c10-9(11,12)19-7-3-1-6(2-4-7)5-8(20(13,15)16)21(14,17)18/h1-5H,(H2,13,15,16)(H2,14,17,18)
InChIKeyYJDVIKBQUNWGMI-UHFFFAOYSA-N
MW346.31 g/mol
LogP0.46
Rot. Bonds4

About 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide

2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide (PubChem CID 175108202) has the molecular formula C9H9F3N2O5S2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide
PubChem CID175108202
Molecular FormulaC9H9F3N2O5S2
Molecular Weight346.31 g/mol
Exact Mass345.99
IUPAC Name2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide
SMILESNS(=O)(=O)C(=Cc1ccc(OC(F)(F)F)cc1)S(N)(=O)=O
InChIInChI=1S/C9H9F3N2O5S2/c10-9(11,12)19-7-3-1-6(2-4-7)5-8(20(13,15)16)21(14,17)18/h1-5H,(H2,13,15,16)(H2,14,17,18)
InChIKeyYJDVIKBQUNWGMI-UHFFFAOYSA-N
XLogP0.46
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 79330887
hydroxy-methyl-oxo-[[4-(trifluoromethoxy)phenyl]methylidene]-λ6-sulfane
CID 91281565
(Z)-2-methyl-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 124656957
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 122129912
1-(2-nitroprop-1-enyl)-4-(trifluoromethoxy)benzene
CID 53396123
4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde
CID 87214534
4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 59838870
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 735857
ethyl 2-cyano-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
CID 75864718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide (CID 175108202) is 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide is NS(=O)(=O)C(=Cc1ccc(OC(F)(F)F)cc1)S(N)(=O)=O.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide?
The InChIKey is YJDVIKBQUNWGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O5S2/c10-9(11,12)19-7-3-1-6(2-4-7)5-8(20(13,15)16)21(14,17)18/h1-5H,(H2,13,15,16)(H2,14,17,18).
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide?
2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide has a molecular weight of 346.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide is sourced from PubChem (CID 175108202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).