4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C17H11F3N2O4S — CID 2807955

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C1C=CC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H11F3N2O4S/c18-17(19,20)11-1-3-12(4-2-11)21-27(25,26)14-7-5-13(6-8-14)22-15(23)9-10-16(22)24/h1-10,21H
InChIKeyRRHWSMTXEQHBDB-UHFFFAOYSA-N
MW396.35 g/mol
LogP2.94
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2807955) has the molecular formula C17H11F3N2O4S and a molecular weight of 396.35 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2807955
Molecular FormulaC17H11F3N2O4S
Molecular Weight396.35 g/mol
Exact Mass396.04
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C1C=CC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H11F3N2O4S/c18-17(19,20)11-1-3-12(4-2-11)21-27(25,26)14-7-5-13(6-8-14)22-15(23)9-10-16(22)24/h1-10,21H
InChIKeyRRHWSMTXEQHBDB-UHFFFAOYSA-N
XLogP2.94
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2807955) is 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is O=C1C=CC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is RRHWSMTXEQHBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O4S/c18-17(19,20)11-1-3-12(4-2-11)21-27(25,26)14-7-5-13(6-8-14)22-15(23)9-10-16(22)24/h1-10,21H.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 396.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2807955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).