3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide

C16H16FNO3S — CID 110778716

IUPAC3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO3S/c1-11(2)22(20,21)15-8-6-14(7-9-15)18-16(19)12-4-3-5-13(17)10-12/h3-11H,1-2H3,(H,18,19)
InChIKeyUPJURLFQZYMKLL-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.26
Rot. Bonds4

About 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide

3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide (PubChem CID 110778716) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
PubChem CID110778716
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO3S/c1-11(2)22(20,21)15-8-6-14(7-9-15)18-16(19)12-4-3-5-13(17)10-12/h3-11H,1-2H3,(H,18,19)
InChIKeyUPJURLFQZYMKLL-UHFFFAOYSA-N
XLogP3.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778734
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 55865230
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507646
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide (CID 110778716) is 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide is CC(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide?
The InChIKey is UPJURLFQZYMKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-11(2)22(20,21)15-8-6-14(7-9-15)18-16(19)12-4-3-5-13(17)10-12/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide?
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide has a molecular weight of 321.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 110778716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).