2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide

C15H14ClIN2O3S — CID 22300462

IUPAC2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESO=C(CNS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C15H14ClIN2O3S/c16-12-3-1-11(2-4-12)10-23(21,22)18-9-15(20)19-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2,(H,19,20)
InChIKeyVCBSLZWAWLEDDO-UHFFFAOYSA-N
MW464.71 g/mol
LogP3.00
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide

2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide (PubChem CID 22300462) has the molecular formula C15H14ClIN2O3S and a molecular weight of 464.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
PubChem CID22300462
Molecular FormulaC15H14ClIN2O3S
Molecular Weight464.71 g/mol
Exact Mass463.95
IUPAC Name2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESO=C(CNS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C15H14ClIN2O3S/c16-12-3-1-11(2-4-12)10-23(21,22)18-9-15(20)19-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2,(H,19,20)
InChIKeyVCBSLZWAWLEDDO-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.71
LogP ≤ 53.00
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

2-[(4-chlorophenyl)methylsulfonylamino]-N-phenylacetamide
CID 51711268
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 22299913
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[(4-bromophenyl)methylsulfonylamino]-N-(3-chlorophenyl)acetamide
CID 22300056
1-[3-[(4-chlorophenyl)methylsulfonyl]-4-methylphenyl]-3-(4-iodophenyl)urea
CID 161393431
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884
2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 22299911
2-[(4-fluorophenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 126134237
2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
CID 22300057
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
CID 15999318
2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21156472

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide (CID 22300462) is 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide is O=C(CNS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(I)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is VCBSLZWAWLEDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O3S/c16-12-3-1-11(2-4-12)10-23(21,22)18-9-15(20)19-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 464.71 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 22300462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).