3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide

C20H15F2N5O2S — CID 70663569

IUPAC3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N5O2S/c1-26(30(28,29)17-5-6-18(21)19(22)9-17)25-12-16-11-24-20-7-4-15(13-27(16)20)14-3-2-8-23-10-14/h2-13H,1H3
InChIKeyDZUGJFPVNWURAV-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.33
Rot. Bonds5

About 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide

3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 70663569) has the molecular formula C20H15F2N5O2S and a molecular weight of 427.44 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
PubChem CID70663569
Molecular FormulaC20H15F2N5O2S
Molecular Weight427.44 g/mol
Exact Mass427.09
IUPAC Name3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N5O2S/c1-26(30(28,29)17-5-6-18(21)19(22)9-17)25-12-16-11-24-20-7-4-15(13-27(16)20)14-3-2-8-23-10-14/h2-13H,1H3
InChIKeyDZUGJFPVNWURAV-UHFFFAOYSA-N
XLogP3.33
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
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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Related Compounds

4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 70663673
N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-3-sulfonamide
CID 70663394
4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 67193043
2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 70663339
N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 52939477
N,2,5-trimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 52939360
2-bromo-N-methyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 88879803
2-bromo-N-methyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-5-(trifluoromethyl)benzenesulfonamide
CID 52939481
N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
CID 87304183
N-ethyl-2-methyl-5-nitro-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 67194690
2-cyano-N-methyl-N-[(7-methyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 70663322
5-fluoro-N,2-dimethyl-N-[[6-(1-methylindol-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
CID 67193459

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (CID 70663569) is 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide is CN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is DZUGJFPVNWURAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2S/c1-26(30(28,29)17-5-6-18(21)19(22)9-17)25-12-16-11-24-20-7-4-15(13-27(16)20)14-3-2-8-23-10-14/h2-13H,1H3.
What are the key properties of 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 427.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 70663569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).