N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide

C15H17IN2O2S — CID 106029547

IUPACN-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)Nc2cccc(I)c2)cc1
InChIInChI=1S/C15H17IN2O2S/c1-17-10-12-5-7-13(8-6-12)11-21(19,20)18-15-4-2-3-14(16)9-15/h2-9,17-18H,10-11H2,1H3
InChIKeyBGTQZJZMPTYRJF-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.95
Rot. Bonds6

About N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide

N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide (PubChem CID 106029547) has the molecular formula C15H17IN2O2S and a molecular weight of 416.28 g/mol. Its IUPAC name is N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
PubChem CID106029547
Molecular FormulaC15H17IN2O2S
Molecular Weight416.28 g/mol
Exact Mass416.01
IUPAC NameN-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)Nc2cccc(I)c2)cc1
InChIInChI=1S/C15H17IN2O2S/c1-17-10-12-5-7-13(8-6-12)11-21(19,20)18-15-4-2-3-14(16)9-15/h2-9,17-18H,10-11H2,1H3
InChIKeyBGTQZJZMPTYRJF-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
N-(2-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106030313
1-chloro-N-(3-iodophenyl)methanesulfonamide
CID 63664275
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029311
1-(dimethylsulfamoylamino)-3-iodobenzene
CID 60582672
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029424
1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide
CID 28513945
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
CID 103521428
1-ethyl-N-(3-iodophenyl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106029526

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide (CID 106029547) is N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide is CNCc1ccc(CS(=O)(=O)Nc2cccc(I)c2)cc1.
What is the InChIKey of N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is BGTQZJZMPTYRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2S/c1-17-10-12-5-7-13(8-6-12)11-21(19,20)18-15-4-2-3-14(16)9-15/h2-9,17-18H,10-11H2,1H3.
What are the key properties of N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide?
N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 416.28 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106029547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).