4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide

C11H13ClN2O3S — CID 81225808

IUPAC4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1cnccc1Cl
InChIInChI=1S/C11H13ClN2O3S/c12-10-1-4-13-7-9(10)11(15)14-8-2-5-18(16,17)6-3-8/h1,4,7-8H,2-3,5-6H2,(H,14,15)
InChIKeyTVGMLIXKRQFXNS-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.04
Rot. Bonds2

About 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide

4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide (PubChem CID 81225808) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide
PubChem CID81225808
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1cnccc1Cl
InChIInChI=1S/C11H13ClN2O3S/c12-10-1-4-13-7-9(10)11(15)14-8-2-5-18(16,17)6-3-8/h1,4,7-8H,2-3,5-6H2,(H,14,15)
InChIKeyTVGMLIXKRQFXNS-UHFFFAOYSA-N
XLogP1.04
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide
CID 81232941
4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 81229203
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 81230031
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 81232502
N-(2-adamantyl)-4-chloropyridine-3-carboxamide
CID 81230801
3-amino-2-chloro-N-(1,1-dioxothian-4-yl)benzamide
CID 112575046
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
5-chloro-N-(1,1-dioxothian-4-yl)-2-hydrazinylbenzamide
CID 62237430
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-4-carboxamide
CID 66482736
4-amino-N-cycloheptylpyridine-3-carboxamide
CID 81236590

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide (CID 81225808) is 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide is O=C(NC1CCS(=O)(=O)CC1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide?
The InChIKey is TVGMLIXKRQFXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c12-10-1-4-13-7-9(10)11(15)14-8-2-5-18(16,17)6-3-8/h1,4,7-8H,2-3,5-6H2,(H,14,15).
What are the key properties of 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide?
4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide has a molecular weight of 288.76 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81225808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).