N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide

C11H11F2NO3S — CID 18573596

IUPACN-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO3S/c12-8-2-1-3-9(13)10(8)11(15)14-7-4-5-18(16,17)6-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyMWVAJWVXTBVCGE-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.88
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide

N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide (PubChem CID 18573596) has the molecular formula C11H11F2NO3S and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
PubChem CID18573596
Molecular FormulaC11H11F2NO3S
Molecular Weight275.28 g/mol
Exact Mass275.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO3S/c12-8-2-1-3-9(13)10(8)11(15)14-7-4-5-18(16,17)6-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyMWVAJWVXTBVCGE-UHFFFAOYSA-N
XLogP0.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide (CID 18573596) is N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide is O=C(NC1CCS(=O)(=O)C1)c1c(F)cccc1F.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide?
The InChIKey is MWVAJWVXTBVCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3S/c12-8-2-1-3-9(13)10(8)11(15)14-7-4-5-18(16,17)6-7/h1-3,7H,4-6H2,(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide?
N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide has a molecular weight of 275.28 g/mol, XLogP of 0.88, 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)-2,6-difluorobenzamide is sourced from PubChem (CID 18573596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).