N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide

C16H16FNO5S — CID 31618569

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H16FNO5S/c1-3-24(21,22)11-5-6-14(19)13(9-11)18-16(20)10-4-7-15(23-2)12(17)8-10/h4-9,19H,3H2,1-2H3,(H,18,20)
InChIKeyBSHMZFUCZDTNQX-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.59
Rot. Bonds5

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide (PubChem CID 31618569) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide
PubChem CID31618569
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H16FNO5S/c1-3-24(21,22)11-5-6-14(19)13(9-11)18-16(20)10-4-7-15(23-2)12(17)8-10/h4-9,19H,3H2,1-2H3,(H,18,20)
InChIKeyBSHMZFUCZDTNQX-UHFFFAOYSA-N
XLogP2.59
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-3-phenyl-acrylamide
CID 732138
N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-2-p-tolyloxy-acetamide
CID 692180
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(4-propylphenoxy)acetamide
CID 1112404
2-(4-ethylphenoxy)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]acetamide
CID 1190076
4-(difluoromethoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4676506
[2-[(4-Fluorobenzoyl)amino]phenyl] 4-methoxybenzenesulfonate
CID 10046600
4-methoxy-N-[3-(methylsulfonyl)phenyl]benzamide
CID 1506549
N-(5-Ethylsulfonyl-2-hydroxy-phenyl)-3,4,5-trimethoxy-benzamide
CID 1180515
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propanoylamino)benzamide
CID 56944152
N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 2354116
4-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4827539
N-[3-(tert-butylsulfamoyl)phenyl]-4-methoxybenzamide
CID 9108101

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide (CID 31618569) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is BSHMZFUCZDTNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-3-24(21,22)11-5-6-14(19)13(9-11)18-16(20)10-4-7-15(23-2)12(17)8-10/h4-9,19H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 353.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 31618569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).