3-acetyl-4-fluorobenzenesulfonyl chloride

C8H6ClFO3S — CID 43118906

IUPAC3-acetyl-4-fluorobenzenesulfonyl chloride
SMILESCC(=O)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H6ClFO3S/c1-5(11)7-4-6(14(9,12)13)2-3-8(7)10/h2-4H,1H3
InChIKeyWHWUPAYSRVSBDG-UHFFFAOYSA-N
MW236.65 g/mol
LogP1.96
Rot. Bonds2

About 3-acetyl-4-fluorobenzenesulfonyl chloride

3-acetyl-4-fluorobenzenesulfonyl chloride (PubChem CID 43118906) has the molecular formula C8H6ClFO3S and a molecular weight of 236.65 g/mol. Its IUPAC name is 3-acetyl-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-acetyl-4-fluorobenzenesulfonyl chloride
PubChem CID43118906
Molecular FormulaC8H6ClFO3S
Molecular Weight236.65 g/mol
Exact Mass235.97
IUPAC Name3-acetyl-4-fluorobenzenesulfonyl chloride
SMILESCC(=O)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H6ClFO3S/c1-5(11)7-4-6(14(9,12)13)2-3-8(7)10/h2-4H,1H3
InChIKeyWHWUPAYSRVSBDG-UHFFFAOYSA-N
XLogP1.96
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 83409937
3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372366
3-acetyl-4-methoxybenzenesulfonyl chloride
CID 15579448
4-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367295
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
4-fluoro-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367662
4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65397043
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371011
1-ethoxypropan-2-yl 5-chlorosulfonyl-2-fluorobenzoate
CID 103491122
3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 65370983
1-(3-acetyl-4-fluorophenyl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea
CID 18461600

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-acetyl-4-fluorobenzenesulfonyl chloride (CID 43118906) is 3-acetyl-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-acetyl-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-acetyl-4-fluorobenzenesulfonyl chloride is CC(=O)c1cc(S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 3-acetyl-4-fluorobenzenesulfonyl chloride?
The InChIKey is WHWUPAYSRVSBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO3S/c1-5(11)7-4-6(14(9,12)13)2-3-8(7)10/h2-4H,1H3.
What are the key properties of 3-acetyl-4-fluorobenzenesulfonyl chloride?
3-acetyl-4-fluorobenzenesulfonyl chloride has a molecular weight of 236.65 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 43118906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).