4-acetamidobenzene(18F)sulfonyl fluoride

C8H8FNO3S — CID 72736472

IUPAC4-acetamidobenzene(18F)sulfonyl fluoride
SMILESCC(=O)Nc1ccc(S(=O)(=O)[18F])cc1
InChIInChI=1S/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)/i9-1
InChIKeyHRQHLUBMODFETM-RVRFMXCPSA-N
MW216.22 g/mol
LogP1.30
Rot. Bonds2

About 4-acetamidobenzene(18F)sulfonyl fluoride

4-acetamidobenzene(18F)sulfonyl fluoride (PubChem CID 72736472) has the molecular formula C8H8FNO3S and a molecular weight of 216.22 g/mol. Its IUPAC name is 4-acetamidobenzene(18F)sulfonyl fluoride.

Molecular Properties

Compound Name4-acetamidobenzene(18F)sulfonyl fluoride
PubChem CID72736472
Molecular FormulaC8H8FNO3S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name4-acetamidobenzene(18F)sulfonyl fluoride
SMILESCC(=O)Nc1ccc(S(=O)(=O)[18F])cc1
InChIInChI=1S/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)/i9-1
InChIKeyHRQHLUBMODFETM-RVRFMXCPSA-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 ≤ 500216.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
N-[4-(2-fluorophenyl)sulfonylphenyl]acetamide
CID 70364757
N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide
CID 19931654
ethyl 4-acetamidobenzenesulfonate
CID 91726392
(4-acetamidophenyl)sulfonylimino-methylazanium
CID 145222283
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2454469

Frequently Asked Questions

What is the IUPAC name of 4-acetamidobenzene(18F)sulfonyl fluoride?
The IUPAC name of 4-acetamidobenzene(18F)sulfonyl fluoride (CID 72736472) is 4-acetamidobenzene(18F)sulfonyl fluoride.
What is the SMILES notation for 4-acetamidobenzene(18F)sulfonyl fluoride?
The canonical SMILES for 4-acetamidobenzene(18F)sulfonyl fluoride is CC(=O)Nc1ccc(S(=O)(=O)[18F])cc1.
What is the InChIKey of 4-acetamidobenzene(18F)sulfonyl fluoride?
The InChIKey is HRQHLUBMODFETM-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)/i9-1.
What are the key properties of 4-acetamidobenzene(18F)sulfonyl fluoride?
4-acetamidobenzene(18F)sulfonyl fluoride has a molecular weight of 216.22 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 4-acetamidobenzene(18F)sulfonyl fluoride is sourced from PubChem (CID 72736472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).