4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide

C12H16FNO4S — CID 103830101

IUPAC4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(F)cc1O)S(C)(=O)=O
InChIInChI=1S/C12H16FNO4S/c1-12(2,19(3,17)18)7-14-11(16)9-5-4-8(13)6-10(9)15/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyCZVPFIKECJPDGP-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.08
Rot. Bonds4

About 4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide

4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide (PubChem CID 103830101) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
PubChem CID103830101
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(F)cc1O)S(C)(=O)=O
InChIInChI=1S/C12H16FNO4S/c1-12(2,19(3,17)18)7-14-11(16)9-5-4-8(13)6-10(9)15/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyCZVPFIKECJPDGP-UHFFFAOYSA-N
XLogP1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
CID 113304549
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
4-fluoro-2-hydroxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685154
2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550157
2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551334
4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 103830009
4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551946
2-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 107013642
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 91646563

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide (CID 103830101) is 4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide is CC(C)(CNC(=O)c1ccc(F)cc1O)S(C)(=O)=O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The InChIKey is CZVPFIKECJPDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-12(2,19(3,17)18)7-14-11(16)9-5-4-8(13)6-10(9)15/h4-6,15H,7H2,1-3H3,(H,14,16).
What are the key properties of 4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide has a molecular weight of 289.33 g/mol, XLogP of 1.08, 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-methyl-2-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 103830101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).