3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide

C14H15IN2O3S — CID 106030152

IUPAC3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2I)cc1CN
InChIInChI=1S/C14H15IN2O3S/c1-20-14-7-6-11(8-10(14)9-16)21(18,19)17-13-5-3-2-4-12(13)15/h2-8,17H,9,16H2,1H3
InChIKeyYJADZZGXWWNNAS-UHFFFAOYSA-N
MW418.26 g/mol
LogP2.56
Rot. Bonds5

About 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide

3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide (PubChem CID 106030152) has the molecular formula C14H15IN2O3S and a molecular weight of 418.26 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide
PubChem CID106030152
Molecular FormulaC14H15IN2O3S
Molecular Weight418.26 g/mol
Exact Mass417.98
IUPAC Name3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2I)cc1CN
InChIInChI=1S/C14H15IN2O3S/c1-20-14-7-6-11(8-10(14)9-16)21(18,19)17-13-5-3-2-4-12(13)15/h2-8,17H,9,16H2,1H3
InChIKeyYJADZZGXWWNNAS-UHFFFAOYSA-N
XLogP2.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 28718355
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061490
3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 2984378
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 106079027
3-(aminomethyl)-N-(3,3-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 106085442
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 106089691
5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030161
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methoxybenzenesulfonamide
CID 28718145
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide (CID 106030152) is 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2I)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is YJADZZGXWWNNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O3S/c1-20-14-7-6-11(8-10(14)9-16)21(18,19)17-13-5-3-2-4-12(13)15/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide?
3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 418.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 106030152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).