N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide

C15H14INO4S — CID 78794976

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C15H14INO4S/c1-2-22(20,21)10-7-8-14(18)13(9-10)17-15(19)11-5-3-4-6-12(11)16/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyULRPXTXTLIUPOJ-UHFFFAOYSA-N
MW431.25 g/mol
LogP3.04
Rot. Bonds4

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide (PubChem CID 78794976) has the molecular formula C15H14INO4S and a molecular weight of 431.25 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
PubChem CID78794976
Molecular FormulaC15H14INO4S
Molecular Weight431.25 g/mol
Exact Mass430.97
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C15H14INO4S/c1-2-22(20,21)10-7-8-14(18)13(9-10)17-15(19)11-5-3-4-6-12(11)16/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyULRPXTXTLIUPOJ-UHFFFAOYSA-N
XLogP3.04
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-nitrobenzamide
CID 108786368
2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
CID 51206951
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618429
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 31618688
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide
CID 31618597
3-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 31618494
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide (CID 78794976) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2I)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide?
The InChIKey is ULRPXTXTLIUPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO4S/c1-2-22(20,21)10-7-8-14(18)13(9-10)17-15(19)11-5-3-4-6-12(11)16/h3-9,18H,2H2,1H3,(H,17,19).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide has a molecular weight of 431.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide is sourced from PubChem (CID 78794976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).