2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine

C14H10ClIN2O2S — CID 72696217

IUPAC2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cn2cc(I)ccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClIN2O2S/c15-10-1-4-13(5-2-10)21(19,20)9-12-8-18-7-11(16)3-6-14(18)17-12/h1-8H,9H2
InChIKeyURJSQLRKOHOPFQ-UHFFFAOYSA-N
MW432.67 g/mol
LogP3.57
Rot. Bonds3

About 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine

2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine (PubChem CID 72696217) has the molecular formula C14H10ClIN2O2S and a molecular weight of 432.67 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine
PubChem CID72696217
Molecular FormulaC14H10ClIN2O2S
Molecular Weight432.67 g/mol
Exact Mass431.92
IUPAC Name2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine
SMILESO=S(=O)(Cc1cn2cc(I)ccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClIN2O2S/c15-10-1-4-13(5-2-10)21(19,20)9-12-8-18-7-11(16)3-6-14(18)17-12/h1-8H,9H2
InChIKeyURJSQLRKOHOPFQ-UHFFFAOYSA-N
XLogP3.57
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.67
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Zolimidine
CID 14652
2-(4-Chloro-phenylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 739934
4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
CID 1157247
4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
CID 59177064
2-(Tert-butylsulfonyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 658092
2-[(4-Chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 694267
2-[[(4-Chlorophenyl)thio]methyl]imidazo[1,2-a]pyridine
CID 747966
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylbenzenesulfonamide
CID 940617
2-[[(4-Chlorophenyl)thio]methyl]-5-methylimidazo[1,2-a]pyridine
CID 2967628
6-Chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 3586710
6-Chloro-2-[(phenylmethylthio)methyl]imidazo[1,2-a]pyridine
CID 4564792
2-(Benzenesulfonylmethyl)-6-chloro-8-(3-chlorophenyl)sulfanyl-3-nitroimidazo[1,2-a]pyridine
CID 155529185

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine (CID 72696217) is 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine is O=S(=O)(Cc1cn2cc(I)ccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine?
The InChIKey is URJSQLRKOHOPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O2S/c15-10-1-4-13(5-2-10)21(19,20)9-12-8-18-7-11(16)3-6-14(18)17-12/h1-8H,9H2.
What are the key properties of 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine?
2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine has a molecular weight of 432.67 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylmethyl]-6-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 72696217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).