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

C11H12FNO3S — CID 4712786

IUPACN-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccc(F)c1
InChIInChI=1S/C11H12FNO3S/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-17(15,16)7-10/h1-3,6,10H,4-5,7H2,(H,13,14)
InChIKeySWCFNRTVLCDVAN-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.74
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide (PubChem CID 4712786) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide
PubChem CID4712786
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccc(F)c1
InChIInChI=1S/C11H12FNO3S/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-17(15,16)7-10/h1-3,6,10H,4-5,7H2,(H,13,14)
InChIKeySWCFNRTVLCDVAN-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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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide (CID 4712786) is N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide is O=C(NC1CCS(=O)(=O)C1)c1cccc(F)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide?
The InChIKey is SWCFNRTVLCDVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-17(15,16)7-10/h1-3,6,10H,4-5,7H2,(H,13,14).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-fluorobenzamide?
N-(1,1-dioxothiolan-3-yl)-3-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)-3-fluorobenzamide is sourced from PubChem (CID 4712786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).