3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide

C12H16FNO3S — CID 118684025

IUPAC3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(C)=O)c1
InChIInChI=1S/C12H16FNO3S/c1-4-8(2)14-18(16,17)10-5-6-12(13)11(7-10)9(3)15/h5-8,14H,4H2,1-3H3/t8-/m1/s1
InChIKeyNZTBXQSKBVJAHW-MRVPVSSYSA-N
MW273.33 g/mol
LogP2.11
Rot. Bonds5

About 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide

3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 118684025) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
PubChem CID118684025
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(C)=O)c1
InChIInChI=1S/C12H16FNO3S/c1-4-8(2)14-18(16,17)10-5-6-12(13)11(7-10)9(3)15/h5-8,14H,4H2,1-3H3/t8-/m1/s1
InChIKeyNZTBXQSKBVJAHW-MRVPVSSYSA-N
XLogP2.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 90259140
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 90259183
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 90259869
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 90259276
N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide
CID 155431543
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 83409937
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid
CID 99982166
2-fluoro-5-(heptan-2-ylsulfamoyl)benzenecarbothioamide
CID 63288607
3-acetyl-4-fluorobenzenesulfonyl chloride
CID 43118906

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide (CID 118684025) is 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide is CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is NZTBXQSKBVJAHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-4-8(2)14-18(16,17)10-5-6-12(13)11(7-10)9(3)15/h5-8,14H,4H2,1-3H3/t8-/m1/s1.
What are the key properties of 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide?
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 118684025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).