N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide

C6H6Cl3N3O2S — CID 91340385

IUPACN-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6H6Cl3N3O2S/c1-2-15(13,14)12-5-3(7)4(8)10-6(9)11-5/h2H2,1H3,(H,10,11,12)
InChIKeyZSNPDBQNHYWCQE-UHFFFAOYSA-N
MW290.56 g/mol
LogP2.20
Rot. Bonds3

About N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide

N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide (PubChem CID 91340385) has the molecular formula C6H6Cl3N3O2S and a molecular weight of 290.56 g/mol. Its IUPAC name is N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide
PubChem CID91340385
Molecular FormulaC6H6Cl3N3O2S
Molecular Weight290.56 g/mol
Exact Mass288.92
IUPAC NameN-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6H6Cl3N3O2S/c1-2-15(13,14)12-5-3(7)4(8)10-6(9)11-5/h2H2,1H3,(H,10,11,12)
InChIKeyZSNPDBQNHYWCQE-UHFFFAOYSA-N
XLogP2.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.56
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide?
The IUPAC name of N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide (CID 91340385) is N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide?
The canonical SMILES for N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide is CCS(=O)(=O)Nc1nc(Cl)nc(Cl)c1Cl.
What is the InChIKey of N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide?
The InChIKey is ZSNPDBQNHYWCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N3O2S/c1-2-15(13,14)12-5-3(7)4(8)10-6(9)11-5/h2H2,1H3,(H,10,11,12).
What are the key properties of N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide?
N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide has a molecular weight of 290.56 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 91340385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).