4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide

C10H12FNO4S — CID 113304549

IUPAC4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C10H12FNO4S/c1-17(15,16)5-4-12-10(14)8-3-2-7(11)6-9(8)13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyLWGBBBSZARJAPC-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.31
Rot. Bonds4

About 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide

4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide (PubChem CID 113304549) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
PubChem CID113304549
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C10H12FNO4S/c1-17(15,16)5-4-12-10(14)8-3-2-7(11)6-9(8)13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyLWGBBBSZARJAPC-UHFFFAOYSA-N
XLogP0.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-hydroxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685154
4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 103830101
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107015821
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide (CID 113304549) is 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide is CS(=O)(=O)CCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is LWGBBBSZARJAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-17(15,16)5-4-12-10(14)8-3-2-7(11)6-9(8)13/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide?
4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 261.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 113304549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).