3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide

C14H11ClINOS — CID 103221338

IUPAC3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11ClINOS/c1-19-13-5-3-2-4-12(13)17-14(18)9-6-7-11(16)10(15)8-9/h2-8H,1H3,(H,17,18)
InChIKeyJHIATYYRJKJIHL-UHFFFAOYSA-N
MW403.67 g/mol
LogP4.92
Rot. Bonds3

About 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide

3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 103221338) has the molecular formula C14H11ClINOS and a molecular weight of 403.67 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
PubChem CID103221338
Molecular FormulaC14H11ClINOS
Molecular Weight403.67 g/mol
Exact Mass402.93
IUPAC Name3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11ClINOS/c1-19-13-5-3-2-4-12(13)17-14(18)9-6-7-11(16)10(15)8-9/h2-8H,1H3,(H,17,18)
InChIKeyJHIATYYRJKJIHL-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
CID 113253959
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 41318735
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide (CID 103221338) is 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is JHIATYYRJKJIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClINOS/c1-19-13-5-3-2-4-12(13)17-14(18)9-6-7-11(16)10(15)8-9/h2-8H,1H3,(H,17,18).
What are the key properties of 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide?
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 403.67 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 103221338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).