3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride

C8H9ClN2O3S — CID 11139505

IUPAC3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClN2O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3
InChIKeyBCZIPIDWLIDQGG-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.71
Rot. Bonds2

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

3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride (PubChem CID 11139505) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride
PubChem CID11139505
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClN2O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3
InChIKeyBCZIPIDWLIDQGG-UHFFFAOYSA-N
XLogP0.71
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride (CID 11139505) is 3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride is CN(C)C(=O)c1cccnc1S(=O)(=O)Cl.
What is the InChIKey of 3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride?
The InChIKey is BCZIPIDWLIDQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3.
What are the key properties of 3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride?
3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride has a molecular weight of 248.69 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 11139505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).