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

C19H16F3N3O3S — CID 29098729

IUPACN-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
SMILESC=CCN1C(=O)[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C19H16F3N3O3S/c1-2-13-25-16(14-9-5-3-6-10-14)23-18(17(25)26,19(20,21)22)24-29(27,28)15-11-7-4-8-12-15/h2-12,24H,1,13H2/t18-/m1/s1
InChIKeyIOJVHYVKQMEJMG-GOSISDBHSA-N
MW423.42 g/mol
LogP2.70
Rot. Bonds6

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

N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide (PubChem CID 29098729) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
PubChem CID29098729
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC NameN-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
SMILESC=CCN1C(=O)[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C19H16F3N3O3S/c1-2-13-25-16(14-9-5-3-6-10-14)23-18(17(25)26,19(20,21)22)24-29(27,28)15-11-7-4-8-12-15/h2-12,24H,1,13H2/t18-/m1/s1
InChIKeyIOJVHYVKQMEJMG-GOSISDBHSA-N
XLogP2.70
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.70
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 N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide (CID 29098729) is N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide is C=CCN1C(=O)[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
The InChIKey is IOJVHYVKQMEJMG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-2-13-25-16(14-9-5-3-6-10-14)23-18(17(25)26,19(20,21)22)24-29(27,28)15-11-7-4-8-12-15/h2-12,24H,1,13H2/t18-/m1/s1.
What are the key properties of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide has a molecular weight of 423.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 29098729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).