6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride

C8H8Cl2N2O3S — CID 19876369

IUPAC6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride
SMILESCN(C)C(=O)c1ccc(Cl)nc1S(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2N2O3S/c1-12(2)8(13)5-3-4-6(9)11-7(5)16(10,14)15/h3-4H,1-2H3
InChIKeyHFRRUZIJEQCQJA-UHFFFAOYSA-N
MW283.14 g/mol
LogP1.36
Rot. Bonds2

About 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride

6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride (PubChem CID 19876369) has the molecular formula C8H8Cl2N2O3S and a molecular weight of 283.14 g/mol. Its IUPAC name is 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride
PubChem CID19876369
Molecular FormulaC8H8Cl2N2O3S
Molecular Weight283.14 g/mol
Exact Mass281.96
IUPAC Name6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride
SMILESCN(C)C(=O)c1ccc(Cl)nc1S(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2N2O3S/c1-12(2)8(13)5-3-4-6(9)11-7(5)16(10,14)15/h3-4H,1-2H3
InChIKeyHFRRUZIJEQCQJA-UHFFFAOYSA-N
XLogP1.36
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride (CID 19876369) is 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride is CN(C)C(=O)c1ccc(Cl)nc1S(=O)(=O)Cl.
What is the InChIKey of 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride?
The InChIKey is HFRRUZIJEQCQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O3S/c1-12(2)8(13)5-3-4-6(9)11-7(5)16(10,14)15/h3-4H,1-2H3.
What are the key properties of 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride?
6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride has a molecular weight of 283.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 19876369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).