2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide

C22H18F3N5O2S — CID 70663359

IUPAC2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
SMILESCc1cccc(C)c1S(=O)(=O)NN=Cc1cnc2ccc(-c3cncc(C(F)(F)F)c3)cn12
InChIInChI=1S/C22H18F3N5O2S/c1-14-4-3-5-15(2)21(14)33(31,32)29-28-12-19-11-27-20-7-6-16(13-30(19)20)17-8-18(10-26-9-17)22(23,24)25/h3-13,29H,1-2H3
InChIKeyAZIXVEPGJLQBGG-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.34
Rot. Bonds5

About 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide

2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide (PubChem CID 70663359) has the molecular formula C22H18F3N5O2S and a molecular weight of 473.48 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
PubChem CID70663359
Molecular FormulaC22H18F3N5O2S
Molecular Weight473.48 g/mol
Exact Mass473.11
IUPAC Name2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
SMILESCc1cccc(C)c1S(=O)(=O)NN=Cc1cnc2ccc(-c3cncc(C(F)(F)F)c3)cn12
InChIInChI=1S/C22H18F3N5O2S/c1-14-4-3-5-15(2)21(14)33(31,32)29-28-12-19-11-27-20-7-6-16(13-30(19)20)17-8-18(10-26-9-17)22(23,24)25/h3-13,29H,1-2H3
InChIKeyAZIXVEPGJLQBGG-UHFFFAOYSA-N
XLogP4.34
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide (CID 70663359) is 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide is Cc1cccc(C)c1S(=O)(=O)NN=Cc1cnc2ccc(-c3cncc(C(F)(F)F)c3)cn12.
What is the InChIKey of 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
The InChIKey is AZIXVEPGJLQBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S/c1-14-4-3-5-15(2)21(14)33(31,32)29-28-12-19-11-27-20-7-6-16(13-30(19)20)17-8-18(10-26-9-17)22(23,24)25/h3-13,29H,1-2H3.
What are the key properties of 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide has a molecular weight of 473.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 70663359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).