1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole

C16H14FN3O4S2 — CID 2148839

IUPAC1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESO=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3O4S2/c17-13-4-6-15(7-5-13)26(23,24)19-9-8-18-16(19)25-11-12-2-1-3-14(10-12)20(21)22/h1-7,10H,8-9,11H2
InChIKeyJOVCSYWGJJSNAA-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.03
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole

1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole (PubChem CID 2148839) has the molecular formula C16H14FN3O4S2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
PubChem CID2148839
Molecular FormulaC16H14FN3O4S2
Molecular Weight395.44 g/mol
Exact Mass395.04
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESO=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3O4S2/c17-13-4-6-15(7-5-13)26(23,24)19-9-8-18-16(19)25-11-12-2-1-3-14(10-12)20(21)22/h1-7,10H,8-9,11H2
InChIKeyJOVCSYWGJJSNAA-UHFFFAOYSA-N
XLogP3.03
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148836
1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148840
2-(4-fluorophenyl)-1-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4568924
2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
CID 2148553
1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
CID 2148737
[3,5-bis(trifluoromethyl)phenyl]-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5161843
(3-chlorophenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4122046
2-[(3-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 27585815
(2,5-dichlorophenyl)-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4186222
1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 22335023
(4-fluorophenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4319518
3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 4108920

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole (CID 2148839) is 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole is O=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The InChIKey is JOVCSYWGJJSNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S2/c17-13-4-6-15(7-5-13)26(23,24)19-9-8-18-16(19)25-11-12-2-1-3-14(10-12)20(21)22/h1-7,10H,8-9,11H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole?
1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole has a molecular weight of 395.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole is sourced from PubChem (CID 2148839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).