5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride

C12H12ClNO3S2 — CID 86610352

IUPAC5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)Cl)s2)c(C)[nH]c1=O
InChIInChI=1S/C12H12ClNO3S2/c1-3-8-6-9(7(2)14-12(8)15)10-4-5-11(18-10)19(13,16)17/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyQVUMLFKXPVWPEF-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.90
Rot. Bonds3

About 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride (PubChem CID 86610352) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride
PubChem CID86610352
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC Name5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)Cl)s2)c(C)[nH]c1=O
InChIInChI=1S/C12H12ClNO3S2/c1-3-8-6-9(7(2)14-12(8)15)10-4-5-11(18-10)19(13,16)17/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyQVUMLFKXPVWPEF-UHFFFAOYSA-N
XLogP2.90
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride (CID 86610352) is 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride is CCc1cc(-c2ccc(S(=O)(=O)Cl)s2)c(C)[nH]c1=O.
What is the InChIKey of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride?
The InChIKey is QVUMLFKXPVWPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c1-3-8-6-9(7(2)14-12(8)15)10-4-5-11(18-10)19(13,16)17/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride?
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride has a molecular weight of 317.82 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 86610352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).