N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide

C12H16FNO3S — CID 20680888

IUPACN-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1F
InChIInChI=1S/C12H16FNO3S/c1-8(15)14-11-6-5-9(7-10(11)13)18(16,17)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyVLBPICBNBTWYKH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.36
Rot. Bonds2

About N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide

N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide (PubChem CID 20680888) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide
PubChem CID20680888
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1F
InChIInChI=1S/C12H16FNO3S/c1-8(15)14-11-6-5-9(7-10(11)13)18(16,17)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyVLBPICBNBTWYKH-UHFFFAOYSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide
CID 71417364
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119991889
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide?
The IUPAC name of N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide (CID 20680888) is N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide?
The canonical SMILES for N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1F.
What is the InChIKey of N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide?
The InChIKey is VLBPICBNBTWYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-8(15)14-11-6-5-9(7-10(11)13)18(16,17)12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide?
N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide has a molecular weight of 273.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide is sourced from PubChem (CID 20680888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).