N-(2-iodophenyl)-3-methylbenzenesulfonamide

C13H12INO2S — CID 47104358

IUPACN-(2-iodophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C13H12INO2S/c1-10-5-4-6-11(9-10)18(16,17)15-13-8-3-2-7-12(13)14/h2-9,15H,1H3
InChIKeyXQLHJZXOEPWKRJ-UHFFFAOYSA-N
MW373.22 g/mol
LogP3.40
Rot. Bonds3

About N-(2-iodophenyl)-3-methylbenzenesulfonamide

N-(2-iodophenyl)-3-methylbenzenesulfonamide (PubChem CID 47104358) has the molecular formula C13H12INO2S and a molecular weight of 373.22 g/mol. Its IUPAC name is N-(2-iodophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-3-methylbenzenesulfonamide
PubChem CID47104358
Molecular FormulaC13H12INO2S
Molecular Weight373.22 g/mol
Exact Mass372.96
IUPAC NameN-(2-iodophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C13H12INO2S/c1-10-5-4-6-11(9-10)18(16,17)15-13-8-3-2-7-12(13)14/h2-9,15H,1H3
InChIKeyXQLHJZXOEPWKRJ-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)benzenesulfonamide
CID 632219
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
3-[(2-iodophenyl)sulfamoyl]benzenecarbothioamide
CID 28978447
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-iodophenyl)-3-methylbenzenesulfonamide (CID 47104358) is N-(2-iodophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-iodophenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccccc2I)c1.
What is the InChIKey of N-(2-iodophenyl)-3-methylbenzenesulfonamide?
The InChIKey is XQLHJZXOEPWKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2S/c1-10-5-4-6-11(9-10)18(16,17)15-13-8-3-2-7-12(13)14/h2-9,15H,1H3.
What are the key properties of N-(2-iodophenyl)-3-methylbenzenesulfonamide?
N-(2-iodophenyl)-3-methylbenzenesulfonamide has a molecular weight of 373.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 47104358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).