3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide

C16H12Cl2F3N3O2S — CID 175581142

IUPAC3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide
SMILESCN(C(F)(c1ccc(Cl)cc1)C(F)F)S(=O)(=O)c1ccc2ncc(Cl)n2c1
InChIInChI=1S/C16H12Cl2F3N3O2S/c1-23(16(21,15(19)20)10-2-4-11(17)5-3-10)27(25,26)12-6-7-14-22-8-13(18)24(14)9-12/h2-9,15H,1H3
InChIKeyDZSQMMBEFFUTFA-UHFFFAOYSA-N
MW438.26 g/mol
LogP4.35
Rot. Bonds5

About 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide

3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 175581142) has the molecular formula C16H12Cl2F3N3O2S and a molecular weight of 438.26 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide
PubChem CID175581142
Molecular FormulaC16H12Cl2F3N3O2S
Molecular Weight438.26 g/mol
Exact Mass437.00
IUPAC Name3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide
SMILESCN(C(F)(c1ccc(Cl)cc1)C(F)F)S(=O)(=O)c1ccc2ncc(Cl)n2c1
InChIInChI=1S/C16H12Cl2F3N3O2S/c1-23(16(21,15(19)20)10-2-4-11(17)5-3-10)27(25,26)12-6-7-14-22-8-13(18)24(14)9-12/h2-9,15H,1H3
InChIKeyDZSQMMBEFFUTFA-UHFFFAOYSA-N
XLogP4.35
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.26
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide?
The IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide (CID 175581142) is 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide?
The canonical SMILES for 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide is CN(C(F)(c1ccc(Cl)cc1)C(F)F)S(=O)(=O)c1ccc2ncc(Cl)n2c1.
What is the InChIKey of 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide?
The InChIKey is DZSQMMBEFFUTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3N3O2S/c1-23(16(21,15(19)20)10-2-4-11(17)5-3-10)27(25,26)12-6-7-14-22-8-13(18)24(14)9-12/h2-9,15H,1H3.
What are the key properties of 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide?
3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 438.26 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 175581142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).