4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide

C20H18F3N3O3S — CID 16764278

IUPAC4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
SMILESC=CCN1C(=O)C(NS(=O)(=O)c2ccc(C)cc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H18F3N3O3S/c1-3-13-26-17(15-7-5-4-6-8-15)24-19(18(26)27,20(21,22)23)25-30(28,29)16-11-9-14(2)10-12-16/h3-12,25H,1,13H2,2H3
InChIKeyBVOXNPHADMEHAO-UHFFFAOYSA-N
MW437.44 g/mol
LogP3.01
Rot. Bonds6

About 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide

4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide (PubChem CID 16764278) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
PubChem CID16764278
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC Name4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
SMILESC=CCN1C(=O)C(NS(=O)(=O)c2ccc(C)cc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H18F3N3O3S/c1-3-13-26-17(15-7-5-4-6-8-15)24-19(18(26)27,20(21,22)23)25-30(28,29)16-11-9-14(2)10-12-16/h3-12,25H,1,13H2,2H3
InChIKeyBVOXNPHADMEHAO-UHFFFAOYSA-N
XLogP3.01
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide (CID 16764278) is 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide is C=CCN1C(=O)C(NS(=O)(=O)c2ccc(C)cc2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
The InChIKey is BVOXNPHADMEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-3-13-26-17(15-7-5-4-6-8-15)24-19(18(26)27,20(21,22)23)25-30(28,29)16-11-9-14(2)10-12-16/h3-12,25H,1,13H2,2H3.
What are the key properties of 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide has a molecular weight of 437.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 16764278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).