N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide

C15H14F2N2O4S — CID 86861751

IUPACN-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2c(O)cc(F)cc2F)cc1
InChIInChI=1S/C15H14F2N2O4S/c1-2-24(22,23)19-11-5-3-10(4-6-11)18-15(21)14-12(17)7-9(16)8-13(14)20/h3-8,19-20H,2H2,1H3,(H,18,21)
InChIKeyQFPGLRXUCOJPRK-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.68
Rot. Bonds5

About N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide

N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide (PubChem CID 86861751) has the molecular formula C15H14F2N2O4S and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide
PubChem CID86861751
Molecular FormulaC15H14F2N2O4S
Molecular Weight356.35 g/mol
Exact Mass356.06
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2c(O)cc(F)cc2F)cc1
InChIInChI=1S/C15H14F2N2O4S/c1-2-24(22,23)19-11-5-3-10(4-6-11)18-15(21)14-12(17)7-9(16)8-13(14)20/h3-8,19-20H,2H2,1H3,(H,18,21)
InChIKeyQFPGLRXUCOJPRK-UHFFFAOYSA-N
XLogP2.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide
CID 60599109
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide
CID 60598957
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 71883384
N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
N-[4-(ethylsulfonylamino)phenyl]-2-(methylamino)acetamide
CID 54863090
4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 47051930
2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 65100671
3-bromo-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 113385211
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide
CID 71936135
N-(4-ethylphenyl)-2-fluoro-6-hydroxybenzamide
CID 104916647

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide (CID 86861751) is N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2c(O)cc(F)cc2F)cc1.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide?
The InChIKey is QFPGLRXUCOJPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4S/c1-2-24(22,23)19-11-5-3-10(4-6-11)18-15(21)14-12(17)7-9(16)8-13(14)20/h3-8,19-20H,2H2,1H3,(H,18,21).
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide?
N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide has a molecular weight of 356.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide is sourced from PubChem (CID 86861751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).