3-hydroxy-4-iodo-N-methylsulfonylbenzamide

C8H8INO4S — CID 148644592

IUPAC3-hydroxy-4-iodo-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C8H8INO4S/c1-15(13,14)10-8(12)5-2-3-6(9)7(11)4-5/h2-4,11H,1H3,(H,10,12)
InChIKeyCSGLXQSBBFSCHW-UHFFFAOYSA-N
MW341.13 g/mol
LogP0.69
Rot. Bonds2

About 3-hydroxy-4-iodo-N-methylsulfonylbenzamide

3-hydroxy-4-iodo-N-methylsulfonylbenzamide (PubChem CID 148644592) has the molecular formula C8H8INO4S and a molecular weight of 341.13 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-methylsulfonylbenzamide
PubChem CID148644592
Molecular FormulaC8H8INO4S
Molecular Weight341.13 g/mol
Exact Mass340.92
IUPAC Name3-hydroxy-4-iodo-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C8H8INO4S/c1-15(13,14)10-8(12)5-2-3-6(9)7(11)4-5/h2-4,11H,1H3,(H,10,12)
InChIKeyCSGLXQSBBFSCHW-UHFFFAOYSA-N
XLogP0.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide
CID 104629586
3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
CID 104628403
1,1-difluoro-2-[(3-hydroxy-4-iodobenzoyl)amino]ethanesulfonic acid
CID 167388367
3-methyl-N-methylsulfonylbenzamide
CID 18331681
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653
3-hydroxy-4-iodobenzamide
CID 24799921
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
CID 113434643
N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104627471
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069
3-bromo-N-methylsulfonylbenzamide
CID 47269279

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-methylsulfonylbenzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-methylsulfonylbenzamide (CID 148644592) is 3-hydroxy-4-iodo-N-methylsulfonylbenzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-methylsulfonylbenzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-methylsulfonylbenzamide?
The InChIKey is CSGLXQSBBFSCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO4S/c1-15(13,14)10-8(12)5-2-3-6(9)7(11)4-5/h2-4,11H,1H3,(H,10,12).
What are the key properties of 3-hydroxy-4-iodo-N-methylsulfonylbenzamide?
3-hydroxy-4-iodo-N-methylsulfonylbenzamide has a molecular weight of 341.13 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-methylsulfonylbenzamide is sourced from PubChem (CID 148644592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).