2-acetamidobenzenesulfonyl fluoride

C8H8FNO3S — CID 112704358

IUPAC2-acetamidobenzenesulfonyl fluoride
SMILESCC(=O)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H8FNO3S/c1-6(11)10-7-4-2-3-5-8(7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKeyHFMREOAQIWKBEK-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.30
Rot. Bonds2

About 2-acetamidobenzenesulfonyl fluoride

2-acetamidobenzenesulfonyl fluoride (PubChem CID 112704358) has the molecular formula C8H8FNO3S and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-acetamidobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-acetamidobenzenesulfonyl fluoride
PubChem CID112704358
Molecular FormulaC8H8FNO3S
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name2-acetamidobenzenesulfonyl fluoride
SMILESCC(=O)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H8FNO3S/c1-6(11)10-7-4-2-3-5-8(7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKeyHFMREOAQIWKBEK-UHFFFAOYSA-N
XLogP1.30
TPSA63.24 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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidobenzenesulfonyl fluoride?
The IUPAC name of 2-acetamidobenzenesulfonyl fluoride (CID 112704358) is 2-acetamidobenzenesulfonyl fluoride.
What is the SMILES notation for 2-acetamidobenzenesulfonyl fluoride?
The canonical SMILES for 2-acetamidobenzenesulfonyl fluoride is CC(=O)Nc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-acetamidobenzenesulfonyl fluoride?
The InChIKey is HFMREOAQIWKBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3S/c1-6(11)10-7-4-2-3-5-8(7)14(9,12)13/h2-5H,1H3,(H,10,11).
What are the key properties of 2-acetamidobenzenesulfonyl fluoride?
2-acetamidobenzenesulfonyl fluoride has a molecular weight of 217.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidobenzenesulfonyl fluoride is sourced from PubChem (CID 112704358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).