2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide

C11H12Cl2N2O3S — CID 43410879

IUPAC2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H12Cl2N2O3S/c1-15(8-2-3-19(17,18)6-8)11(16)7-4-9(12)14-10(13)5-7/h4-5,8H,2-3,6H2,1H3
InChIKeyONFNINRPJSFMGT-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.65
Rot. Bonds2

About 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide

2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide (PubChem CID 43410879) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
PubChem CID43410879
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H12Cl2N2O3S/c1-15(8-2-3-19(17,18)6-8)11(16)7-4-9(12)14-10(13)5-7/h4-5,8H,2-3,6H2,1H3
InChIKeyONFNINRPJSFMGT-UHFFFAOYSA-N
XLogP1.65
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylbenzamide
CID 24679446
3-amino-4,5-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 61102704
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
N-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethoxy-N-methylbenzamide
CID 7259614
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-N-methylbenzamide
CID 16822492
3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 43410881
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethylbenzohydrazide
CID 40842810
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide (CID 43410879) is 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1cc(Cl)nc(Cl)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide?
The InChIKey is ONFNINRPJSFMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c1-15(8-2-3-19(17,18)6-8)11(16)7-4-9(12)14-10(13)5-7/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide?
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide has a molecular weight of 323.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 43410879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).