6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one

C16H17FN4O4S — CID 8925278

IUPAC6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)ccc1=O
InChIInChI=1S/C16H17FN4O4S/c1-19-15(22)7-6-13(18-19)16(23)20-8-10-21(11-9-20)26(24,25)14-5-3-2-4-12(14)17/h2-7H,8-11H2,1H3
InChIKeyLWKPCDUCZCWSED-UHFFFAOYSA-N
MW380.40 g/mol
LogP0.07
Rot. Bonds3

About 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one

6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 8925278) has the molecular formula C16H17FN4O4S and a molecular weight of 380.40 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID8925278
Molecular FormulaC16H17FN4O4S
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)ccc1=O
InChIInChI=1S/C16H17FN4O4S/c1-19-15(22)7-6-13(18-19)16(23)20-8-10-21(11-9-20)26(24,25)14-5-3-2-4-12(14)17/h2-7H,8-11H2,1H3
InChIKeyLWKPCDUCZCWSED-UHFFFAOYSA-N
XLogP0.07
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one (CID 8925278) is 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)ccc1=O.
What is the InChIKey of 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is LWKPCDUCZCWSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O4S/c1-19-15(22)7-6-13(18-19)16(23)20-8-10-21(11-9-20)26(24,25)14-5-3-2-4-12(14)17/h2-7H,8-11H2,1H3.
What are the key properties of 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 380.40 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 8925278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).