N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide

C11H12F2N2O3S — CID 91764713

IUPACN-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1ncc(F)cc1F
InChIInChI=1S/C11H12F2N2O3S/c12-7-5-9(13)10(14-6-7)11(16)15-8-1-3-19(17,18)4-2-8/h5-6,8H,1-4H2,(H,15,16)
InChIKeyKORYWCKUXSHQIB-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.67
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide

N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide (PubChem CID 91764713) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide
PubChem CID91764713
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC NameN-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1ncc(F)cc1F
InChIInChI=1S/C11H12F2N2O3S/c12-7-5-9(13)10(14-6-7)11(16)15-8-1-3-19(17,18)4-2-8/h5-6,8H,1-4H2,(H,15,16)
InChIKeyKORYWCKUXSHQIB-UHFFFAOYSA-N
XLogP0.67
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide
CID 146074745
5-bromo-N-cyclopropyl-3-fluoropyridine-2-carboxamide
CID 146026980
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
3,5-difluoro-N-methylpyridine-2-carboxamide
CID 58243777
3,5-difluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)pyridine-2-carboxamide
CID 138992830
N-(1,1-dioxothian-4-yl)-2-fluoro-5-methylbenzamide
CID 62509384
3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide
CID 104741112
N-(1,1-dioxothian-4-yl)-4-fluoro-3-methylbenzamide
CID 63212616
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159404
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide
CID 156609395

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide (CID 91764713) is N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide is O=C(NC1CCS(=O)(=O)CC1)c1ncc(F)cc1F.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide?
The InChIKey is KORYWCKUXSHQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c12-7-5-9(13)10(14-6-7)11(16)15-8-1-3-19(17,18)4-2-8/h5-6,8H,1-4H2,(H,15,16).
What are the key properties of N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide?
N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 91764713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).