4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide

C19H19ClFN3O3S2 — CID 3669070

IUPAC4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H19ClFN3O3S2/c1-23(2)29(26,27)14-8-6-13(7-9-14)18(25)24-11-10-22-19(24)28-12-15-16(20)4-3-5-17(15)21/h3-9H,10-12H2,1-2H3
InChIKeyBCGJKAQVQUHUBJ-UHFFFAOYSA-N
MW455.96 g/mol
LogP3.47
Rot. Bonds5

About 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide

4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 3669070) has the molecular formula C19H19ClFN3O3S2 and a molecular weight of 455.96 g/mol. Its IUPAC name is 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide
PubChem CID3669070
Molecular FormulaC19H19ClFN3O3S2
Molecular Weight455.96 g/mol
Exact Mass455.05
IUPAC Name4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H19ClFN3O3S2/c1-23(2)29(26,27)14-8-6-13(7-9-14)18(25)24-11-10-22-19(24)28-12-15-16(20)4-3-5-17(15)21/h3-9H,10-12H2,1-2H3
InChIKeyBCGJKAQVQUHUBJ-UHFFFAOYSA-N
XLogP3.47
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.96
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide (CID 3669070) is 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is BCGJKAQVQUHUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O3S2/c1-23(2)29(26,27)14-8-6-13(7-9-14)18(25)24-11-10-22-19(24)28-12-15-16(20)4-3-5-17(15)21/h3-9H,10-12H2,1-2H3.
What are the key properties of 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 455.96 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 3669070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).