5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide

C16H16ClIN2O3S — CID 55948329

IUPAC5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2I)cc1C
InChIInChI=1S/C16H16ClIN2O3S/c1-3-24(22,23)20-15-7-5-12(8-10(15)2)19-16(21)13-9-11(17)4-6-14(13)18/h4-9,20H,3H2,1-2H3,(H,19,21)
InChIKeyKRRKEFHKIOOUAY-UHFFFAOYSA-N
MW478.74 g/mol
LogP4.27
Rot. Bonds5

About 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide

5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide (PubChem CID 55948329) has the molecular formula C16H16ClIN2O3S and a molecular weight of 478.74 g/mol. Its IUPAC name is 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
PubChem CID55948329
Molecular FormulaC16H16ClIN2O3S
Molecular Weight478.74 g/mol
Exact Mass477.96
IUPAC Name5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2I)cc1C
InChIInChI=1S/C16H16ClIN2O3S/c1-3-24(22,23)20-15-7-5-12(8-10(15)2)19-16(21)13-9-11(17)4-6-14(13)18/h4-9,20H,3H2,1-2H3,(H,19,21)
InChIKeyKRRKEFHKIOOUAY-UHFFFAOYSA-N
XLogP4.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.74
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
CID 103807582
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 47067384
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 60552730
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 55947056
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide
CID 47067402
2-chloro-N-(4-chloro-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28580400
2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide
CID 49195798
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide (CID 55948329) is 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2I)cc1C.
What is the InChIKey of 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide?
The InChIKey is KRRKEFHKIOOUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2O3S/c1-3-24(22,23)20-15-7-5-12(8-10(15)2)19-16(21)13-9-11(17)4-6-14(13)18/h4-9,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide?
5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide has a molecular weight of 478.74 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide is sourced from PubChem (CID 55948329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).