2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide

C17H18ClIN2O3S — CID 126137101

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H18ClIN2O3S/c1-11-4-6-14(9-15(11)18)21(25(3,23)24)10-17(22)20-16-7-5-13(19)8-12(16)2/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyUWDJIYPGKKDGIT-UHFFFAOYSA-N
MW492.77 g/mol
LogP3.97
Rot. Bonds5

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 126137101) has the molecular formula C17H18ClIN2O3S and a molecular weight of 492.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID126137101
Molecular FormulaC17H18ClIN2O3S
Molecular Weight492.77 g/mol
Exact Mass491.98
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H18ClIN2O3S/c1-11-4-6-14(9-15(11)18)21(25(3,23)24)10-17(22)20-16-7-5-13(19)8-12(16)2/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyUWDJIYPGKKDGIT-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 1243031
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 43899916
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1302977
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126190406
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2279014
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998394
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113154961
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 51343741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide (CID 126137101) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is UWDJIYPGKKDGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClIN2O3S/c1-11-4-6-14(9-15(11)18)21(25(3,23)24)10-17(22)20-16-7-5-13(19)8-12(16)2/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 492.77 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 126137101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).