3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide

C15H14INO3S — CID 163720510

IUPAC3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1I
InChIInChI=1S/C15H14INO3S/c1-10-3-4-11(9-14(10)16)15(18)17-12-5-7-13(8-6-12)21(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyKRDGDRGHFOXDKA-UHFFFAOYSA-N
MW415.25 g/mol
LogP3.26
Rot. Bonds3

About 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide

3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 163720510) has the molecular formula C15H14INO3S and a molecular weight of 415.25 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
PubChem CID163720510
Molecular FormulaC15H14INO3S
Molecular Weight415.25 g/mol
Exact Mass414.97
IUPAC Name3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1I
InChIInChI=1S/C15H14INO3S/c1-10-3-4-11(9-14(10)16)15(18)17-12-5-7-13(8-6-12)21(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyKRDGDRGHFOXDKA-UHFFFAOYSA-N
XLogP3.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide (CID 163720510) is 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1I.
What is the InChIKey of 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is KRDGDRGHFOXDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO3S/c1-10-3-4-11(9-14(10)16)15(18)17-12-5-7-13(8-6-12)21(2,19)20/h3-9H,1-2H3,(H,17,18).
What are the key properties of 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide?
3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide has a molecular weight of 415.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 163720510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).