2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide

C21H17Cl2IN2O3S — CID 22305203

IUPAC2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CNc1cccc(Cl)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2IN2O3S/c1-13-11-15(24)7-10-18(13)26-20(27)12-25-19-4-2-3-17(23)21(19)30(28,29)16-8-5-14(22)6-9-16/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyDEUSENXKXYXYPN-UHFFFAOYSA-N
MW575.26 g/mol
LogP5.79
Rot. Bonds6

About 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide

2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 22305203) has the molecular formula C21H17Cl2IN2O3S and a molecular weight of 575.26 g/mol. Its IUPAC name is 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID22305203
Molecular FormulaC21H17Cl2IN2O3S
Molecular Weight575.26 g/mol
Exact Mass573.94
IUPAC Name2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CNc1cccc(Cl)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2IN2O3S/c1-13-11-15(24)7-10-18(13)26-20(27)12-25-19-4-2-3-17(23)21(19)30(28,29)16-8-5-14(22)6-9-16/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyDEUSENXKXYXYPN-UHFFFAOYSA-N
XLogP5.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.26
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide
CID 2604442
N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide
CID 22305154
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 7636870
2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide
CID 20850362
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126190406
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263
2-(4-chloro-2-iodoanilino)-N-(2-chlorophenyl)acetamide
CID 107635253
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3930729
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide (CID 22305203) is 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CNc1cccc(Cl)c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is DEUSENXKXYXYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2IN2O3S/c1-13-11-15(24)7-10-18(13)26-20(27)12-25-19-4-2-3-17(23)21(19)30(28,29)16-8-5-14(22)6-9-16/h2-11,25H,12H2,1H3,(H,26,27).
What are the key properties of 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide?
2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 575.26 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 22305203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).