N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide

C11H14INO4S — CID 104628255

IUPACN-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
SMILESCCS(=O)(=O)CCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H14INO4S/c1-2-18(16,17)6-5-13-11(15)8-3-4-9(12)10(14)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyDVTJYSPMFMIPOR-UHFFFAOYSA-N
MW383.21 g/mol
LogP1.16
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide

N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104628255) has the molecular formula C11H14INO4S and a molecular weight of 383.21 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
PubChem CID104628255
Molecular FormulaC11H14INO4S
Molecular Weight383.21 g/mol
Exact Mass382.97
IUPAC NameN-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
SMILESCCS(=O)(=O)CCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H14INO4S/c1-2-18(16,17)6-5-13-11(15)8-3-4-9(12)10(14)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyDVTJYSPMFMIPOR-UHFFFAOYSA-N
XLogP1.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 51.16
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-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387
N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
CID 107168316
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653
4-(2-ethylsulfonylethylcarbamoyl)benzoic acid
CID 103790305
3-hydroxy-4-iodo-N-methylsulfonylbenzamide
CID 148644592
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide
CID 113434734
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 104627455
3-hydroxy-4-iodo-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 104627726

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide (CID 104628255) is N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide is CCS(=O)(=O)CCNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is DVTJYSPMFMIPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO4S/c1-2-18(16,17)6-5-13-11(15)8-3-4-9(12)10(14)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15).
What are the key properties of N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide?
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 383.21 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104628255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).