1-methyl-2H-pyridine-3-sulfonyl chloride

C6H8ClNO2S — CID 155683087

IUPAC1-methyl-2H-pyridine-3-sulfonyl chloride
SMILESCN1C=CC=C(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H8ClNO2S/c1-8-4-2-3-6(5-8)11(7,9)10/h2-4H,5H2,1H3
InChIKeyYDDQOUAKUPMYSD-UHFFFAOYSA-N
MW193.66 g/mol
LogP0.90
Rot. Bonds1

About 1-methyl-2H-pyridine-3-sulfonyl chloride

1-methyl-2H-pyridine-3-sulfonyl chloride (PubChem CID 155683087) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is 1-methyl-2H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-2H-pyridine-3-sulfonyl chloride
PubChem CID155683087
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Name1-methyl-2H-pyridine-3-sulfonyl chloride
SMILESCN1C=CC=C(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H8ClNO2S/c1-8-4-2-3-6(5-8)11(7,9)10/h2-4H,5H2,1H3
InChIKeyYDDQOUAKUPMYSD-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyridine-3-sulfonyl chloride?
The IUPAC name of 1-methyl-2H-pyridine-3-sulfonyl chloride (CID 155683087) is 1-methyl-2H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 1-methyl-2H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 1-methyl-2H-pyridine-3-sulfonyl chloride is CN1C=CC=C(S(=O)(=O)Cl)C1.
What is the InChIKey of 1-methyl-2H-pyridine-3-sulfonyl chloride?
The InChIKey is YDDQOUAKUPMYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2S/c1-8-4-2-3-6(5-8)11(7,9)10/h2-4H,5H2,1H3.
What are the key properties of 1-methyl-2H-pyridine-3-sulfonyl chloride?
1-methyl-2H-pyridine-3-sulfonyl chloride has a molecular weight of 193.66 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 155683087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).