4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide

C19H18FN3O3S — CID 175666094

IUPAC4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCC1=N/C(=C\c2ccc(F)cc2)C(=O)N1CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18FN3O3S/c1-13-22-18(12-15-2-6-16(20)7-3-15)19(24)23(13)11-10-14-4-8-17(9-5-14)27(21,25)26/h2-9,12H,10-11H2,1H3,(H2,21,25,26)/b18-12-
InChIKeySUARILRQSOPWTM-PDGQHHTCSA-N
MW387.44 g/mol
LogP2.32
Rot. Bonds5

About 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide

4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 175666094) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID175666094
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCC1=N/C(=C\c2ccc(F)cc2)C(=O)N1CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18FN3O3S/c1-13-22-18(12-15-2-6-16(20)7-3-15)19(24)23(13)11-10-14-4-8-17(9-5-14)27(21,25)26/h2-9,12H,10-11H2,1H3,(H2,21,25,26)/b18-12-
InChIKeySUARILRQSOPWTM-PDGQHHTCSA-N
XLogP2.32
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide (CID 175666094) is 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide is CC1=N/C(=C\c2ccc(F)cc2)C(=O)N1CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is SUARILRQSOPWTM-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-22-18(12-15-2-6-16(20)7-3-15)19(24)23(13)11-10-14-4-8-17(9-5-14)27(21,25)26/h2-9,12H,10-11H2,1H3,(H2,21,25,26)/b18-12-.
What are the key properties of 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 175666094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).