N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide

C15H13ClINO3S — CID 55677538

IUPACN-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C15H13ClINO3S/c1-9-3-5-11(22(2,20)21)8-12(9)15(19)18-14-6-4-10(17)7-13(14)16/h3-8H,1-2H3,(H,18,19)
InChIKeyGJSAXPYICSMFQP-UHFFFAOYSA-N
MW449.70 g/mol
LogP3.91
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide

N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 55677538) has the molecular formula C15H13ClINO3S and a molecular weight of 449.70 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
PubChem CID55677538
Molecular FormulaC15H13ClINO3S
Molecular Weight449.70 g/mol
Exact Mass448.93
IUPAC NameN-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C15H13ClINO3S/c1-9-3-5-11(22(2,20)21)8-12(9)15(19)18-14-6-4-10(17)7-13(14)16/h3-8H,1-2H3,(H,18,19)
InChIKeyGJSAXPYICSMFQP-UHFFFAOYSA-N
XLogP3.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.70
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide
CID 145271067
N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536
methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate
CID 35249899
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
N-(3-chloro-2-methylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297779
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 87007049
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
5-chloro-N-(2-chloro-4-iodophenyl)-2-hydrazinylbenzamide
CID 107606119
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide (CID 55677538) is N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is GJSAXPYICSMFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO3S/c1-9-3-5-11(22(2,20)21)8-12(9)15(19)18-14-6-4-10(17)7-13(14)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide?
N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 449.70 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 55677538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).