3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine

C14H16Cl2N4O2S — CID 141054311

IUPAC3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine
SMILESCC(C)(c1ccc(Cl)nn1)S(=O)(=O)C(C)(C)c1ccc(Cl)nn1
InChIInChI=1S/C14H16Cl2N4O2S/c1-13(2,9-5-7-11(15)19-17-9)23(21,22)14(3,4)10-6-8-12(16)20-18-10/h5-8H,1-4H3
InChIKeyPKJAWVRNVUKKAZ-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.16
Rot. Bonds4

About 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine

3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine (PubChem CID 141054311) has the molecular formula C14H16Cl2N4O2S and a molecular weight of 375.28 g/mol. Its IUPAC name is 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine
PubChem CID141054311
Molecular FormulaC14H16Cl2N4O2S
Molecular Weight375.28 g/mol
Exact Mass374.04
IUPAC Name3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine
SMILESCC(C)(c1ccc(Cl)nn1)S(=O)(=O)C(C)(C)c1ccc(Cl)nn1
InChIInChI=1S/C14H16Cl2N4O2S/c1-13(2,9-5-7-11(15)19-17-9)23(21,22)14(3,4)10-6-8-12(16)20-18-10/h5-8H,1-4H3
InChIKeyPKJAWVRNVUKKAZ-UHFFFAOYSA-N
XLogP3.16
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine?
The IUPAC name of 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine (CID 141054311) is 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine is CC(C)(c1ccc(Cl)nn1)S(=O)(=O)C(C)(C)c1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine?
The InChIKey is PKJAWVRNVUKKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2S/c1-13(2,9-5-7-11(15)19-17-9)23(21,22)14(3,4)10-6-8-12(16)20-18-10/h5-8H,1-4H3.
What are the key properties of 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine?
3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine has a molecular weight of 375.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-[2-(6-chloropyridazin-3-yl)propan-2-ylsulfonyl]propan-2-yl]pyridazine is sourced from PubChem (CID 141054311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).