N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide

C11H12FNO3S — CID 18573574

IUPACN-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccccc1F
InChIInChI=1S/C11H12FNO3S/c12-10-4-2-1-3-9(10)11(14)13-8-5-6-17(15,16)7-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyRKTBHNUZVDAUTI-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.74
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide

N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide (PubChem CID 18573574) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
PubChem CID18573574
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccccc1F
InChIInChI=1S/C11H12FNO3S/c12-10-4-2-1-3-9(10)11(14)13-8-5-6-17(15,16)7-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyRKTBHNUZVDAUTI-UHFFFAOYSA-N
XLogP0.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-tert-butylsulfanylethyl)benzamide
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N-cyclohexyl-4-methanesulfonylbenzamide
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N-[2-(benzylthio)ethyl]benzamide
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CID 2843021
N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide
CID 2438709
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CID 210042
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CID 2284450
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CID 2856847

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide (CID 18573574) is N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide is O=C(NC1CCS(=O)(=O)C1)c1ccccc1F.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The InChIKey is RKTBHNUZVDAUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c12-10-4-2-1-3-9(10)11(14)13-8-5-6-17(15,16)7-8/h1-4,8H,5-7H2,(H,13,14).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide has a molecular weight of 257.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 18573574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).