N-(2-pyridin-4-ylsulfonylethyl)acetamide

C9H12N2O3S — CID 19079196

IUPACN-(2-pyridin-4-ylsulfonylethyl)acetamide
SMILESCC(=O)NCCS(=O)(=O)c1ccncc1
InChIInChI=1S/C9H12N2O3S/c1-8(12)11-6-7-15(13,14)9-2-4-10-5-3-9/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyWCMUYVCTPPMEAJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.01
Rot. Bonds4

About N-(2-pyridin-4-ylsulfonylethyl)acetamide

N-(2-pyridin-4-ylsulfonylethyl)acetamide (PubChem CID 19079196) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(2-pyridin-4-ylsulfonylethyl)acetamide.

Molecular Properties

Compound NameN-(2-pyridin-4-ylsulfonylethyl)acetamide
PubChem CID19079196
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(2-pyridin-4-ylsulfonylethyl)acetamide
SMILESCC(=O)NCCS(=O)(=O)c1ccncc1
InChIInChI=1S/C9H12N2O3S/c1-8(12)11-6-7-15(13,14)9-2-4-10-5-3-9/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyWCMUYVCTPPMEAJ-UHFFFAOYSA-N
XLogP-0.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylsulfonylethyl)acetamide?
The IUPAC name of N-(2-pyridin-4-ylsulfonylethyl)acetamide (CID 19079196) is N-(2-pyridin-4-ylsulfonylethyl)acetamide.
What is the SMILES notation for N-(2-pyridin-4-ylsulfonylethyl)acetamide?
The canonical SMILES for N-(2-pyridin-4-ylsulfonylethyl)acetamide is CC(=O)NCCS(=O)(=O)c1ccncc1.
What is the InChIKey of N-(2-pyridin-4-ylsulfonylethyl)acetamide?
The InChIKey is WCMUYVCTPPMEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-8(12)11-6-7-15(13,14)9-2-4-10-5-3-9/h2-5H,6-7H2,1H3,(H,11,12).
What are the key properties of N-(2-pyridin-4-ylsulfonylethyl)acetamide?
N-(2-pyridin-4-ylsulfonylethyl)acetamide has a molecular weight of 228.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylsulfonylethyl)acetamide is sourced from PubChem (CID 19079196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).