3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide

C14H12INO2S — CID 104627461

IUPAC3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(I)c(O)c2)c1
InChIInChI=1S/C14H12INO2S/c1-19-11-4-2-3-10(8-11)16-14(18)9-5-6-12(15)13(17)7-9/h2-8,17H,1H3,(H,16,18)
InChIKeyMYMVUOVAXDAYQF-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.97
Rot. Bonds3

About 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide

3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 104627461) has the molecular formula C14H12INO2S and a molecular weight of 385.23 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
PubChem CID104627461
Molecular FormulaC14H12INO2S
Molecular Weight385.23 g/mol
Exact Mass384.96
IUPAC Name3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(I)c(O)c2)c1
InChIInChI=1S/C14H12INO2S/c1-19-11-4-2-3-10(8-11)16-14(18)9-5-6-12(15)13(17)7-9/h2-8,17H,1H3,(H,16,18)
InChIKeyMYMVUOVAXDAYQF-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.97
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

4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(3-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 113434629
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
CID 104627784
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9402797
N-(4-fluoro-3-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104628285
3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide
CID 104629586
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide (CID 104627461) is 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(I)c(O)c2)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is MYMVUOVAXDAYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO2S/c1-19-11-4-2-3-10(8-11)16-14(18)9-5-6-12(15)13(17)7-9/h2-8,17H,1H3,(H,16,18).
What are the key properties of 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide?
3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 385.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 104627461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).