3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one

C10H7BrN2O3S — CID 11674065

IUPAC3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C10H7BrN2O3S/c11-7-1-3-8(4-2-7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14)
InChIKeyMKFSHYSDCZFZEZ-UHFFFAOYSA-N
MW315.15 g/mol
LogP1.37
Rot. Bonds2

About 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one

3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one (PubChem CID 11674065) has the molecular formula C10H7BrN2O3S and a molecular weight of 315.15 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one
PubChem CID11674065
Molecular FormulaC10H7BrN2O3S
Molecular Weight315.15 g/mol
Exact Mass313.94
IUPAC Name3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C10H7BrN2O3S/c11-7-1-3-8(4-2-7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14)
InChIKeyMKFSHYSDCZFZEZ-UHFFFAOYSA-N
XLogP1.37
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one (CID 11674065) is 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one is O=c1ccc(S(=O)(=O)c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one?
The InChIKey is MKFSHYSDCZFZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3S/c11-7-1-3-8(4-2-7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14).
What are the key properties of 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one?
3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one has a molecular weight of 315.15 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-1H-pyridazin-6-one is sourced from PubChem (CID 11674065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).