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

C16H16ClIN2O3S — CID 2301952

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClIN2O3S/c1-24(22,23)20(10-12-2-4-13(17)5-3-12)11-16(21)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyDSTKBYQTMSVXPC-UHFFFAOYSA-N
MW478.74 g/mol
LogP3.34
Rot. Bonds6

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

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide (PubChem CID 2301952) has the molecular formula C16H16ClIN2O3S and a molecular weight of 478.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
PubChem CID2301952
Molecular FormulaC16H16ClIN2O3S
Molecular Weight478.74 g/mol
Exact Mass477.96
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClIN2O3S/c1-24(22,23)20(10-12-2-4-13(17)5-3-12)11-16(21)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyDSTKBYQTMSVXPC-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.74
LogP ≤ 53.34
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-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100796093
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 126396765
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 100557424
N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 2223290
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 3969354
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide (CID 2301952) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is DSTKBYQTMSVXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2O3S/c1-24(22,23)20(10-12-2-4-13(17)5-3-12)11-16(21)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 478.74 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 2301952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).