5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C17H17ClINO4S — CID 55607362

IUPAC5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17ClINO4S/c1-10(11-4-6-12(7-5-11)25(3,22)23)20-17(21)13-8-14(18)15(19)9-16(13)24-2/h4-10H,1-3H3,(H,20,21)
InChIKeyIXZNWWJMFJVSPS-UHFFFAOYSA-N
MW493.75 g/mol
LogP3.85
Rot. Bonds5

About 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 55607362) has the molecular formula C17H17ClINO4S and a molecular weight of 493.75 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID55607362
Molecular FormulaC17H17ClINO4S
Molecular Weight493.75 g/mol
Exact Mass492.96
IUPAC Name5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17ClINO4S/c1-10(11-4-6-12(7-5-11)25(3,22)23)20-17(21)13-8-14(18)15(19)9-16(13)24-2/h4-10H,1-3H3,(H,20,21)
InChIKeyIXZNWWJMFJVSPS-UHFFFAOYSA-N
XLogP3.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
CID 133165871
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55774066
3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide
CID 103221331
2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 55653587
7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 133165504
2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55433083
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46448530

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 55607362) is 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is COc1cc(I)c(Cl)cc1C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is IXZNWWJMFJVSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClINO4S/c1-10(11-4-6-12(7-5-11)25(3,22)23)20-17(21)13-8-14(18)15(19)9-16(13)24-2/h4-10H,1-3H3,(H,20,21).
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 493.75 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 55607362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).