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

C12H16FNO3S — CID 79550785

IUPAC2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C12H16FNO3S/c1-12(2,18(3,16)17)8-14-11(15)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyGFDAJTZZPUXSGC-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.38
Rot. Bonds4

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

2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide (PubChem CID 79550785) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
PubChem CID79550785
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C12H16FNO3S/c1-12(2,18(3,16)17)8-14-11(15)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyGFDAJTZZPUXSGC-UHFFFAOYSA-N
XLogP1.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550157
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide
CID 79558263
2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551334
2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 65110344
4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 103830101
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
CID 79557910
2-fluoro-N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]benzamide
CID 103711880

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide (CID 79550785) is 2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide is CC(C)(CNC(=O)c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The InChIKey is GFDAJTZZPUXSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-12(2,18(3,16)17)8-14-11(15)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide has a molecular weight of 273.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 79550785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).