3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one

C12H8ClN3O3S — CID 11544083

IUPAC3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1
InChIInChI=1S/C12H8ClN3O3S/c13-8-2-1-7-5-12(14-9(7)6-8)20(18,19)11-4-3-10(17)15-16-11/h1-6,14H,(H,15,17)
InChIKeyYCAYZFGZUUVLMY-UHFFFAOYSA-N
MW309.73 g/mol
LogP1.74
Rot. Bonds2

About 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one

3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one (PubChem CID 11544083) has the molecular formula C12H8ClN3O3S and a molecular weight of 309.73 g/mol. Its IUPAC name is 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one
PubChem CID11544083
Molecular FormulaC12H8ClN3O3S
Molecular Weight309.73 g/mol
Exact Mass309.00
IUPAC Name3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1
InChIInChI=1S/C12H8ClN3O3S/c13-8-2-1-7-5-12(14-9(7)6-8)20(18,19)11-4-3-10(17)15-16-11/h1-6,14H,(H,15,17)
InChIKeyYCAYZFGZUUVLMY-UHFFFAOYSA-N
XLogP1.74
TPSA95.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one (CID 11544083) is 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one is O=c1ccc(S(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1.
What is the InChIKey of 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one?
The InChIKey is YCAYZFGZUUVLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3S/c13-8-2-1-7-5-12(14-9(7)6-8)20(18,19)11-4-3-10(17)15-16-11/h1-6,14H,(H,15,17).
What are the key properties of 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one?
3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one has a molecular weight of 309.73 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1H-indol-2-yl)sulfonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 11544083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).