5-acetamido-3-ethylpyridine-2-sulfonyl chloride

C9H11ClN2O3S — CID 86657226

IUPAC5-acetamido-3-ethylpyridine-2-sulfonyl chloride
SMILESCCc1cc(NC(C)=O)cnc1S(=O)(=O)Cl
InChIInChI=1S/C9H11ClN2O3S/c1-3-7-4-8(12-6(2)13)5-11-9(7)16(10,14)15/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyXSNPCUCLBDEMFJ-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.53
Rot. Bonds3

About 5-acetamido-3-ethylpyridine-2-sulfonyl chloride

5-acetamido-3-ethylpyridine-2-sulfonyl chloride (PubChem CID 86657226) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 5-acetamido-3-ethylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-acetamido-3-ethylpyridine-2-sulfonyl chloride
PubChem CID86657226
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name5-acetamido-3-ethylpyridine-2-sulfonyl chloride
SMILESCCc1cc(NC(C)=O)cnc1S(=O)(=O)Cl
InChIInChI=1S/C9H11ClN2O3S/c1-3-7-4-8(12-6(2)13)5-11-9(7)16(10,14)15/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyXSNPCUCLBDEMFJ-UHFFFAOYSA-N
XLogP1.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-3-ethylpyridine-2-sulfonyl chloride?
The IUPAC name of 5-acetamido-3-ethylpyridine-2-sulfonyl chloride (CID 86657226) is 5-acetamido-3-ethylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-acetamido-3-ethylpyridine-2-sulfonyl chloride?
The canonical SMILES for 5-acetamido-3-ethylpyridine-2-sulfonyl chloride is CCc1cc(NC(C)=O)cnc1S(=O)(=O)Cl.
What is the InChIKey of 5-acetamido-3-ethylpyridine-2-sulfonyl chloride?
The InChIKey is XSNPCUCLBDEMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-3-7-4-8(12-6(2)13)5-11-9(7)16(10,14)15/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-acetamido-3-ethylpyridine-2-sulfonyl chloride?
5-acetamido-3-ethylpyridine-2-sulfonyl chloride has a molecular weight of 262.72 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-3-ethylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 86657226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).