N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide

C15H14FNO4S — CID 692178

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO4S/c1-2-22(20,21)12-7-8-14(18)13(9-12)17-15(19)10-3-5-11(16)6-4-10/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyRNCGFQXYRLRALR-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.58
Rot. Bonds4

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide (PubChem CID 692178) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide
PubChem CID692178
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO4S/c1-2-22(20,21)12-7-8-14(18)13(9-12)17-15(19)10-3-5-11(16)6-4-10/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyRNCGFQXYRLRALR-UHFFFAOYSA-N
XLogP2.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide
CID 4280205
N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-3-phenyl-acrylamide
CID 732138
N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 4129647
2-Chloro-N-(4-ethanesulfonyl-2-hydroxy-phenyl)-benzamide
CID 651430
(2E)-3-(4-chlorophenyl)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]prop-2-enamide
CID 1112418
N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 3666144
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
(E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 6295909
4-(4-hydroxyphenyl)sulfonyl-N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]benzamide
CID 145989553
5-decylsulfonyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9913253
5-decylsulfonyl-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 13550307
2-Hydroxy-N-(4-methanesulfonylphenyl)benzamide
CID 28392832

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide (CID 692178) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide?
The InChIKey is RNCGFQXYRLRALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-2-22(20,21)12-7-8-14(18)13(9-12)17-15(19)10-3-5-11(16)6-4-10/h3-9,18H,2H2,1H3,(H,17,19).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluorobenzamide has a molecular weight of 323.35 g/mol, XLogP of 2.58, 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)-4-fluorobenzamide is sourced from PubChem (CID 692178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).