4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide

C23H15ClF3N3O3S — CID 126842935

IUPAC4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H15ClF3N3O3S/c24-17-7-3-15(4-8-17)21-29-20(13-14-1-5-16(6-2-14)23(25,26)27)22(31)30(21)18-9-11-19(12-10-18)34(28,32)33/h1-13H,(H2,28,32,33)/b20-13+
InChIKeyUONWOZTYKSPEHN-DEDYPNTBSA-N
MW505.91 g/mol
LogP4.84
Rot. Bonds4

About 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide

4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide (PubChem CID 126842935) has the molecular formula C23H15ClF3N3O3S and a molecular weight of 505.91 g/mol. Its IUPAC name is 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide
PubChem CID126842935
Molecular FormulaC23H15ClF3N3O3S
Molecular Weight505.91 g/mol
Exact Mass505.05
IUPAC Name4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H15ClF3N3O3S/c24-17-7-3-15(4-8-17)21-29-20(13-14-1-5-16(6-2-14)23(25,26)27)22(31)30(21)18-9-11-19(12-10-18)34(28,32)33/h1-13H,(H2,28,32,33)/b20-13+
InChIKeyUONWOZTYKSPEHN-DEDYPNTBSA-N
XLogP4.84
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide (CID 126842935) is 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide?
The InChIKey is UONWOZTYKSPEHN-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H15ClF3N3O3S/c24-17-7-3-15(4-8-17)21-29-20(13-14-1-5-16(6-2-14)23(25,26)27)22(31)30(21)18-9-11-19(12-10-18)34(28,32)33/h1-13H,(H2,28,32,33)/b20-13+.
What are the key properties of 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide?
4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide has a molecular weight of 505.91 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-2-(4-chlorophenyl)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 126842935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).