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

C11H12Cl2N2O3S — CID 43410881

IUPAC3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1nc(Cl)ccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H12Cl2N2O3S/c1-15(7-4-5-19(17,18)6-7)11(16)10-8(12)2-3-9(13)14-10/h2-3,7H,4-6H2,1H3
InChIKeyOHRXDUYEGREYLO-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.65
Rot. Bonds2

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

3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide (PubChem CID 43410881) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
PubChem CID43410881
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1nc(Cl)ccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H12Cl2N2O3S/c1-15(7-4-5-19(17,18)6-7)11(16)10-8(12)2-3-9(13)14-10/h2-3,7H,4-6H2,1H3
InChIKeyOHRXDUYEGREYLO-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

3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62179492
3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 60716770
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
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
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 24979818
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
6-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 113343275
6-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 62240492
7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
CID 110852912
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylbenzamide
CID 24679446
N-(1,1-dioxothiolan-3-yl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380416

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide (CID 43410881) is 3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1nc(Cl)ccc1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of 3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is OHRXDUYEGREYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c1-15(7-4-5-19(17,18)6-7)11(16)10-8(12)2-3-9(13)14-10/h2-3,7H,4-6H2,1H3.
What are the key properties of 3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-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 3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 43410881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).