2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine

C20H13Cl2N3O5S2 — CID 155531377

IUPAC2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(S(=O)c3ccc(Cl)cc3)cc(Cl)cn12
InChIInChI=1S/C20H13Cl2N3O5S2/c21-13-6-8-15(9-7-13)31(28)18-10-14(22)11-24-19(18)23-17(20(24)25(26)27)12-32(29,30)16-4-2-1-3-5-16/h1-11H,12H2
InChIKeyQLAJDKKBLZOGMO-UHFFFAOYSA-N
MW510.38 g/mol
LogP4.69
Rot. Bonds6

About 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine

2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine (PubChem CID 155531377) has the molecular formula C20H13Cl2N3O5S2 and a molecular weight of 510.38 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine
PubChem CID155531377
Molecular FormulaC20H13Cl2N3O5S2
Molecular Weight510.38 g/mol
Exact Mass508.97
IUPAC Name2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(S(=O)c3ccc(Cl)cc3)cc(Cl)cn12
InChIInChI=1S/C20H13Cl2N3O5S2/c21-13-6-8-15(9-7-13)31(28)18-10-14(22)11-24-19(18)23-17(20(24)25(26)27)12-32(29,30)16-4-2-1-3-5-16/h1-11H,12H2
InChIKeyQLAJDKKBLZOGMO-UHFFFAOYSA-N
XLogP4.69
TPSA111.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine 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 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine (CID 155531377) is 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(S(=O)c3ccc(Cl)cc3)cc(Cl)cn12.
What is the InChIKey of 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine?
The InChIKey is QLAJDKKBLZOGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O5S2/c21-13-6-8-15(9-7-13)31(28)18-10-14(22)11-24-19(18)23-17(20(24)25(26)27)12-32(29,30)16-4-2-1-3-5-16/h1-11H,12H2.
What are the key properties of 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine?
2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine has a molecular weight of 510.38 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-6-chloro-8-(4-chlorophenyl)sulfinyl-3-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 155531377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).