N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

C15H13F2IN2O3S — CID 2208111

IUPACN-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccc(I)cc1
InChIInChI=1S/C15H13F2IN2O3S/c1-24(22,23)20(11-7-5-10(18)6-8-11)9-14(21)19-15-12(16)3-2-4-13(15)17/h2-8H,9H2,1H3,(H,19,21)
InChIKeyBRXMKWPMJZQRMR-UHFFFAOYSA-N
MW466.25 g/mol
LogP2.97
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide

N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (PubChem CID 2208111) has the molecular formula C15H13F2IN2O3S and a molecular weight of 466.25 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
PubChem CID2208111
Molecular FormulaC15H13F2IN2O3S
Molecular Weight466.25 g/mol
Exact Mass465.97
IUPAC NameN-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccc(I)cc1
InChIInChI=1S/C15H13F2IN2O3S/c1-24(22,23)20(11-7-5-10(18)6-8-11)9-14(21)19-15-12(16)3-2-4-13(15)17/h2-8H,9H2,1H3,(H,19,21)
InChIKeyBRXMKWPMJZQRMR-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.25
LogP ≤ 52.97
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-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
CID 2210419
2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2194266
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2,6-difluorophenyl)acetamide
CID 2976519
N-(2,6-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 21372888
N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1296238
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-(4-chloro-N-methylsulfonylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113154851
N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide (CID 2208111) is N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccc(I)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
The InChIKey is BRXMKWPMJZQRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2IN2O3S/c1-24(22,23)20(11-7-5-10(18)6-8-11)9-14(21)19-15-12(16)3-2-4-13(15)17/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide?
N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide has a molecular weight of 466.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2208111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).