3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione

C17H10F3NO4S — CID 151983215

IUPAC3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H10F3NO4S/c18-17(19,20)26(24,25)21-15(22)13(11-7-3-1-4-8-11)14(16(21)23)12-9-5-2-6-10-12/h1-10H
InChIKeyUDDBISWWVAJJMV-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.82
Rot. Bonds3

About 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione

3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione (PubChem CID 151983215) has the molecular formula C17H10F3NO4S and a molecular weight of 381.33 g/mol. Its IUPAC name is 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione
PubChem CID151983215
Molecular FormulaC17H10F3NO4S
Molecular Weight381.33 g/mol
Exact Mass381.03
IUPAC Name3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C17H10F3NO4S/c18-17(19,20)26(24,25)21-15(22)13(11-7-3-1-4-8-11)14(16(21)23)12-9-5-2-6-10-12/h1-10H
InChIKeyUDDBISWWVAJJMV-UHFFFAOYSA-N
XLogP2.82
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxo-3,4-diphenylpyrrol-1-yl) 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 20734551
2-phenyl-1-(trifluoromethylsulfonyl)imidazole
CID 69479486
2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide
CID 139747977
2,5-diphenyl-1,4-bis(trifluoromethylsulfonyl)piperazine
CID 53305234
(2,5-dioxo-3,4-diphenylpyrrol-1-yl) (4-fluorophenyl)methanesulfonate
CID 175382108
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
(1-methylidene-3-oxoisoindol-2-yl) trifluoromethanesulfonate
CID 21136372
4-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 162536123
azulene;sulfuric acid
CID 172847947
iodobenzene;trifluoromethanesulfonate
CID 18458510
3,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 634528
3,4-bis(4-bromophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 3106868

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione (CID 151983215) is 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione is O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione?
The InChIKey is UDDBISWWVAJJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO4S/c18-17(19,20)26(24,25)21-15(22)13(11-7-3-1-4-8-11)14(16(21)23)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione?
3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione has a molecular weight of 381.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1-(trifluoromethylsulfonyl)pyrrole-2,5-dione is sourced from PubChem (CID 151983215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).