N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide

C15H12IN3O3S — CID 68661287

IUPACN-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cc1
InChIInChI=1S/C15H12IN3O3S/c1-23(21,22)12-5-2-10(3-6-12)15(20)18-13-9-19-8-11(16)4-7-14(19)17-13/h2-9H,1H3,(H,18,20)
InChIKeyPQEAKQJUABXKMK-UHFFFAOYSA-N
MW441.25 g/mol
LogP2.59
Rot. Bonds3

About N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide

N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide (PubChem CID 68661287) has the molecular formula C15H12IN3O3S and a molecular weight of 441.25 g/mol. Its IUPAC name is N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide
PubChem CID68661287
Molecular FormulaC15H12IN3O3S
Molecular Weight441.25 g/mol
Exact Mass440.96
IUPAC NameN-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cc1
InChIInChI=1S/C15H12IN3O3S/c1-23(21,22)12-5-2-10(3-6-12)15(20)18-13-9-19-8-11(16)4-7-14(19)17-13/h2-9H,1H3,(H,18,20)
InChIKeyPQEAKQJUABXKMK-UHFFFAOYSA-N
XLogP2.59
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate
CID 59175639
4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175307
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide;methanesulfonic acid
CID 86638590
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[1-(methanesulfonamido)-2-methylpropan-2-yl]benzamide
CID 59175320
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[(1Z)-1-hydrazinyl-1-hydrazinylidene-2-methylpropan-2-yl]benzamide
CID 143620247
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide
CID 59175341
N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
CID 32604546
N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid
CID 53321232
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 56530937
2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid
CID 68570894

Frequently Asked Questions

What is the IUPAC name of N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide (CID 68661287) is N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cc1.
What is the InChIKey of N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide?
The InChIKey is PQEAKQJUABXKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O3S/c1-23(21,22)12-5-2-10(3-6-12)15(20)18-13-9-19-8-11(16)4-7-14(19)17-13/h2-9H,1H3,(H,18,20).
What are the key properties of N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide?
N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide has a molecular weight of 441.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 68661287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).