N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide

C22H21IN2O3S — CID 11763056

IUPACN-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide
SMILESC=C(COc1cccc(C)n1)CN(c1ccccc1I)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21IN2O3S/c1-17(16-28-22-14-8-9-18(2)24-22)15-25(21-13-7-6-12-20(21)23)29(26,27)19-10-4-3-5-11-19/h3-14H,1,15-16H2,2H3
InChIKeyYRBMTKXWLVGLEA-UHFFFAOYSA-N
MW520.39 g/mol
LogP4.83
Rot. Bonds8

About N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide

N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide (PubChem CID 11763056) has the molecular formula C22H21IN2O3S and a molecular weight of 520.39 g/mol. Its IUPAC name is N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide
PubChem CID11763056
Molecular FormulaC22H21IN2O3S
Molecular Weight520.39 g/mol
Exact Mass520.03
IUPAC NameN-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide
SMILESC=C(COc1cccc(C)n1)CN(c1ccccc1I)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21IN2O3S/c1-17(16-28-22-14-8-9-18(2)24-22)15-25(21-13-7-6-12-20(21)23)29(26,27)19-10-4-3-5-11-19/h3-14H,1,15-16H2,2H3
InChIKeyYRBMTKXWLVGLEA-UHFFFAOYSA-N
XLogP4.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]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-[(6-methyl-2-pyridinyl)oxy]acetamide
CID 22228306
2-(N-(3,4-dichlorophenyl)sulfonyl-2-iodoanilino)acetyl chloride
CID 50891231
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1160770
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide
CID 46176793
N-(2-iodophenyl)-4-methyl-N-[(2Z)-2-phenylmethoxyiminoethyl]benzenesulfonamide
CID 23628425
3-(2-iodo-N-(3-nitrophenyl)sulfonylanilino)propanoic acid
CID 50891292
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(4-methoxyphenyl)acetamide
CID 1324420
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126138604
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide
CID 2671816
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide?
The IUPAC name of N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide (CID 11763056) is N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide?
The canonical SMILES for N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide is C=C(COc1cccc(C)n1)CN(c1ccccc1I)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide?
The InChIKey is YRBMTKXWLVGLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O3S/c1-17(16-28-22-14-8-9-18(2)24-22)15-25(21-13-7-6-12-20(21)23)29(26,27)19-10-4-3-5-11-19/h3-14H,1,15-16H2,2H3.
What are the key properties of N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide?
N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide has a molecular weight of 520.39 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-N-[2-[(6-methyl-2-pyridinyl)oxymethyl]prop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 11763056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).