3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide

C20H21Cl2N3O2S — CID 143522827

IUPAC3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide
SMILESCCn1c(Oc2ccc(C)cc2)cnc1C(C)NS(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2S/c1-4-25-19(27-15-7-5-13(2)6-8-15)12-23-20(25)14(3)24-28(26)16-9-10-17(21)18(22)11-16/h5-12,14,24H,4H2,1-3H3
InChIKeyOKFKRYVCWOKSNG-UHFFFAOYSA-N
MW438.38 g/mol
LogP5.68
Rot. Bonds7

About 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide

3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide (PubChem CID 143522827) has the molecular formula C20H21Cl2N3O2S and a molecular weight of 438.38 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide
PubChem CID143522827
Molecular FormulaC20H21Cl2N3O2S
Molecular Weight438.38 g/mol
Exact Mass437.07
IUPAC Name3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide
SMILESCCn1c(Oc2ccc(C)cc2)cnc1C(C)NS(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2S/c1-4-25-19(27-15-7-5-13(2)6-8-15)12-23-20(25)14(3)24-28(26)16-9-10-17(21)18(22)11-16/h5-12,14,24H,4H2,1-3H3
InChIKeyOKFKRYVCWOKSNG-UHFFFAOYSA-N
XLogP5.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.38
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide 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 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide?
The IUPAC name of 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide (CID 143522827) is 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide?
The canonical SMILES for 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide is CCn1c(Oc2ccc(C)cc2)cnc1C(C)NS(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide?
The InChIKey is OKFKRYVCWOKSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2S/c1-4-25-19(27-15-7-5-13(2)6-8-15)12-23-20(25)14(3)24-28(26)16-9-10-17(21)18(22)11-16/h5-12,14,24H,4H2,1-3H3.
What are the key properties of 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide?
3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide has a molecular weight of 438.38 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide is sourced from PubChem (CID 143522827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).