4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide

C13H11ClINO2S — CID 114257249

IUPAC4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(I)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClINO2S/c1-9-2-5-11(15)8-13(9)16-19(17,18)12-6-3-10(14)4-7-12/h2-8,16H,1H3
InChIKeyHVXSSJYXSDPMCD-UHFFFAOYSA-N
MW407.66 g/mol
LogP4.05
Rot. Bonds3

About 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide

4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide (PubChem CID 114257249) has the molecular formula C13H11ClINO2S and a molecular weight of 407.66 g/mol. Its IUPAC name is 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
PubChem CID114257249
Molecular FormulaC13H11ClINO2S
Molecular Weight407.66 g/mol
Exact Mass406.92
IUPAC Name4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(I)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClINO2S/c1-9-2-5-11(15)8-13(9)16-19(17,18)12-6-3-10(14)4-7-12/h2-8,16H,1H3
InChIKeyHVXSSJYXSDPMCD-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.66
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide (CID 114257249) is 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide is Cc1ccc(I)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide?
The InChIKey is HVXSSJYXSDPMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO2S/c1-9-2-5-11(15)8-13(9)16-19(17,18)12-6-3-10(14)4-7-12/h2-8,16H,1H3.
What are the key properties of 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide?
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide has a molecular weight of 407.66 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 114257249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).