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

C20H16IN5O2S — CID 67193043

IUPAC4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C20H16IN5O2S/c1-25(29(27,28)19-7-5-17(21)6-8-19)24-13-18-12-23-20-9-4-16(14-26(18)20)15-3-2-10-22-11-15/h2-14H,1H3
InChIKeyWQWGGTKMZQNJRL-UHFFFAOYSA-N
MW517.35 g/mol
LogP3.66
Rot. Bonds5

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

4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 67193043) has the molecular formula C20H16IN5O2S and a molecular weight of 517.35 g/mol. Its IUPAC name is 4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
PubChem CID67193043
Molecular FormulaC20H16IN5O2S
Molecular Weight517.35 g/mol
Exact Mass517.01
IUPAC Name4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C20H16IN5O2S/c1-25(29(27,28)19-7-5-17(21)6-8-19)24-13-18-12-23-20-9-4-16(14-26(18)20)15-3-2-10-22-11-15/h2-14H,1H3
InChIKeyWQWGGTKMZQNJRL-UHFFFAOYSA-N
XLogP3.66
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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
3,4-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 70663569
N,2-dimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 52939477
2-bromo-N-methyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 88879803
N,2,5-trimethyl-N-[(E)-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 52939360
2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 70663339
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 4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (CID 67193043) is 4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-iodo-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(I)cc1.
What is the InChIKey of 4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is WQWGGTKMZQNJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16IN5O2S/c1-25(29(27,28)19-7-5-17(21)6-8-19)24-13-18-12-23-20-9-4-16(14-26(18)20)15-3-2-10-22-11-15/h2-14H,1H3.
What are the key properties of 4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 517.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 67193043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).