N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide

C24H24IN3O3S — CID 3656906

IUPACN-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
SMILESC=C(NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccc(I)c1
InChIInChI=1S/C24H24IN3O3S/c1-17-12-13-23(18(2)14-17)28(32(30,31)22-10-5-4-6-11-22)16-24(29)27-26-19(3)20-8-7-9-21(25)15-20/h4-15,26H,3,16H2,1-2H3,(H,27,29)
InChIKeyRTIGBLUFYUBPII-UHFFFAOYSA-N
MW561.45 g/mol
LogP4.40
Rot. Bonds8

About N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide

N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide (PubChem CID 3656906) has the molecular formula C24H24IN3O3S and a molecular weight of 561.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
PubChem CID3656906
Molecular FormulaC24H24IN3O3S
Molecular Weight561.45 g/mol
Exact Mass561.06
IUPAC NameN-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
SMILESC=C(NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccc(I)c1
InChIInChI=1S/C24H24IN3O3S/c1-17-12-13-23(18(2)14-17)28(32(30,31)22-10-5-4-6-11-22)16-24(29)27-26-19(3)20-8-7-9-21(25)15-20/h4-15,26H,3,16H2,1-2H3,(H,27,29)
InChIKeyRTIGBLUFYUBPII-UHFFFAOYSA-N
XLogP4.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]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

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 2253626
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170439
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide
CID 2856819
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30175478
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide
CID 92646351

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide (CID 3656906) is N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide is C=C(NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccc(I)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is RTIGBLUFYUBPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24IN3O3S/c1-17-12-13-23(18(2)14-17)28(32(30,31)22-10-5-4-6-11-22)16-24(29)27-26-19(3)20-8-7-9-21(25)15-20/h4-15,26H,3,16H2,1-2H3,(H,27,29).
What are the key properties of N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide?
N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 561.45 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 3656906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).