2-acetyl-6-fluorobenzenesulfonamide

C8H8FNO3S — CID 130511417

IUPAC2-acetyl-6-fluorobenzenesulfonamide
SMILESCC(=O)c1cccc(F)c1S(N)(=O)=O
InChIInChI=1S/C8H8FNO3S/c1-5(11)6-3-2-4-7(9)8(6)14(10,12)13/h2-4H,1H3,(H2,10,12,13)
InChIKeySROTWXRRKJUQTA-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.68
Rot. Bonds2

About 2-acetyl-6-fluorobenzenesulfonamide

2-acetyl-6-fluorobenzenesulfonamide (PubChem CID 130511417) has the molecular formula C8H8FNO3S and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-acetyl-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-acetyl-6-fluorobenzenesulfonamide
PubChem CID130511417
Molecular FormulaC8H8FNO3S
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name2-acetyl-6-fluorobenzenesulfonamide
SMILESCC(=O)c1cccc(F)c1S(N)(=O)=O
InChIInChI=1S/C8H8FNO3S/c1-5(11)6-3-2-4-7(9)8(6)14(10,12)13/h2-4H,1H3,(H2,10,12,13)
InChIKeySROTWXRRKJUQTA-UHFFFAOYSA-N
XLogP0.68
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-acetyl-6-hydroxybenzenesulfonate
CID 23674837
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
2,6-difluorobenzenesulfonic acid
CID 14766952
2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide
CID 31579746
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone
CID 68833018
(2-carbamoylphenyl) 2,6-difluorobenzenesulfonate
CID 32937499
ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane
CID 159623365
3-acetyl-2-fluorobenzoic acid
CID 83410719
2,6-difluoro-3-hydroxybenzenesulfonamide
CID 119008908
1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone
CID 170428458
[(2,6-difluorophenyl)sulfonylamino]urea
CID 140574542

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-fluorobenzenesulfonamide?
The IUPAC name of 2-acetyl-6-fluorobenzenesulfonamide (CID 130511417) is 2-acetyl-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-acetyl-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-acetyl-6-fluorobenzenesulfonamide is CC(=O)c1cccc(F)c1S(N)(=O)=O.
What is the InChIKey of 2-acetyl-6-fluorobenzenesulfonamide?
The InChIKey is SROTWXRRKJUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3S/c1-5(11)6-3-2-4-7(9)8(6)14(10,12)13/h2-4H,1H3,(H2,10,12,13).
What are the key properties of 2-acetyl-6-fluorobenzenesulfonamide?
2-acetyl-6-fluorobenzenesulfonamide has a molecular weight of 217.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-fluorobenzenesulfonamide is sourced from PubChem (CID 130511417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).