[(4-fluorosulfonylbenzoyl)amino] acetate

C9H8FNO5S — CID 150350540

IUPAC[(4-fluorosulfonylbenzoyl)amino] acetate
SMILESCC(=O)ONC(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H8FNO5S/c1-6(12)16-11-9(13)7-2-4-8(5-3-7)17(10,14)15/h2-5H,1H3,(H,11,13)
InChIKeyGTQMYFACPYCCBG-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.55
Rot. Bonds2

About [(4-fluorosulfonylbenzoyl)amino] acetate

[(4-fluorosulfonylbenzoyl)amino] acetate (PubChem CID 150350540) has the molecular formula C9H8FNO5S and a molecular weight of 261.23 g/mol. Its IUPAC name is [(4-fluorosulfonylbenzoyl)amino] acetate.

Molecular Properties

Compound Name[(4-fluorosulfonylbenzoyl)amino] acetate
PubChem CID150350540
Molecular FormulaC9H8FNO5S
Molecular Weight261.23 g/mol
Exact Mass261.01
IUPAC Name[(4-fluorosulfonylbenzoyl)amino] acetate
SMILESCC(=O)ONC(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H8FNO5S/c1-6(12)16-11-9(13)7-2-4-8(5-3-7)17(10,14)15/h2-5H,1H3,(H,11,13)
InChIKeyGTQMYFACPYCCBG-UHFFFAOYSA-N
XLogP0.55
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzamido acetate;ethane
CID 91379738
4-carbamoylbenzenesulfonyl fluoride
CID 54079384
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
4-[[2-(2-methylpropanoylamino)-3-oxopropyl]carbamoyl]benzenesulfonyl fluoride
CID 142585327
4-[(1-methylpyrrolidin-3-yl)carbamoyl]benzenesulfonyl fluoride
CID 156645477
4-methylsulfonylbenzohydrazide
CID 11042107
6-amino-2-[(4-fluorosulfonylbenzoyl)amino]hexanoic acid
CID 91387836
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
sodium;hydride;(4-sulfamoylanilino) acetate
CID 175057030
[4-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)benzoyl]sulfamoyl]phenyl] acetate
CID 170128452
4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
CID 27745104

Frequently Asked Questions

What is the IUPAC name of [(4-fluorosulfonylbenzoyl)amino] acetate?
The IUPAC name of [(4-fluorosulfonylbenzoyl)amino] acetate (CID 150350540) is [(4-fluorosulfonylbenzoyl)amino] acetate.
What is the SMILES notation for [(4-fluorosulfonylbenzoyl)amino] acetate?
The canonical SMILES for [(4-fluorosulfonylbenzoyl)amino] acetate is CC(=O)ONC(=O)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of [(4-fluorosulfonylbenzoyl)amino] acetate?
The InChIKey is GTQMYFACPYCCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO5S/c1-6(12)16-11-9(13)7-2-4-8(5-3-7)17(10,14)15/h2-5H,1H3,(H,11,13).
What are the key properties of [(4-fluorosulfonylbenzoyl)amino] acetate?
[(4-fluorosulfonylbenzoyl)amino] acetate has a molecular weight of 261.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorosulfonylbenzoyl)amino] acetate is sourced from PubChem (CID 150350540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).