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

C16H15ClFIN2O3S — CID 1243031

IUPAC2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H15ClFIN2O3S/c1-10-7-11(19)3-6-15(10)20-16(22)9-21(25(2,23)24)12-4-5-14(18)13(17)8-12/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyIOUHLTAFKINMCQ-UHFFFAOYSA-N
MW496.73 g/mol
LogP3.80
Rot. Bonds5

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

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 1243031) has the molecular formula C16H15ClFIN2O3S and a molecular weight of 496.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID1243031
Molecular FormulaC16H15ClFIN2O3S
Molecular Weight496.73 g/mol
Exact Mass495.95
IUPAC Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H15ClFIN2O3S/c1-10-7-11(19)3-6-15(10)20-16(22)9-21(25(2,23)24)12-4-5-14(18)13(17)8-12/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyIOUHLTAFKINMCQ-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.73
LogP ≤ 53.80
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-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 43899916
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126190406
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1302977
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
methyl 4-chloro-3-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 2228942
N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978398
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 92686139
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3358994

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide (CID 1243031) is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is IOUHLTAFKINMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFIN2O3S/c1-10-7-11(19)3-6-15(10)20-16(22)9-21(25(2,23)24)12-4-5-14(18)13(17)8-12/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide?
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 496.73 g/mol, XLogP of 3.80, 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-fluoro-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 1243031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).