N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide

C15H17IN2O2S — CID 106030183

IUPACN-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H17IN2O2S/c1-11-7-8-12(10-17-2)9-15(11)21(19,20)18-14-6-4-3-5-13(14)16/h3-9,17-18H,10H2,1-2H3
InChIKeyKTSGLNFCFAXLPT-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.12
Rot. Bonds5

About N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide

N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106030183) has the molecular formula C15H17IN2O2S and a molecular weight of 416.28 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106030183
Molecular FormulaC15H17IN2O2S
Molecular Weight416.28 g/mol
Exact Mass416.01
IUPAC NameN-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H17IN2O2S/c1-11-7-8-12(10-17-2)9-15(11)21(19,20)18-14-6-4-3-5-13(14)16/h3-9,17-18H,10H2,1-2H3
InChIKeyKTSGLNFCFAXLPT-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide 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

N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2944627
N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106061352
N-(2-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106030313
N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106060591
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106087992
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477
2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053715
3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503720
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106074318

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 106030183) is N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(C)c(S(=O)(=O)Nc2ccccc2I)c1.
What is the InChIKey of N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is KTSGLNFCFAXLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2S/c1-11-7-8-12(10-17-2)9-15(11)21(19,20)18-14-6-4-3-5-13(14)16/h3-9,17-18H,10H2,1-2H3.
What are the key properties of N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 416.28 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106030183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).