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

C16H16F2N4O4S — CID 8897923

IUPAC6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ccc1=O
InChIInChI=1S/C16H16F2N4O4S/c1-20-14(23)6-5-13(19-20)16(24)21-7-9-22(10-8-21)27(25,26)15-11(17)3-2-4-12(15)18/h2-6H,7-10H2,1H3
InChIKeyAANHVNALJUODCN-UHFFFAOYSA-N
MW398.39 g/mol
LogP0.21
Rot. Bonds3

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

6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 8897923) has the molecular formula C16H16F2N4O4S and a molecular weight of 398.39 g/mol. Its IUPAC name is 6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID8897923
Molecular FormulaC16H16F2N4O4S
Molecular Weight398.39 g/mol
Exact Mass398.09
IUPAC Name6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ccc1=O
InChIInChI=1S/C16H16F2N4O4S/c1-20-14(23)6-5-13(19-20)16(24)21-7-9-22(10-8-21)27(25,26)15-11(17)3-2-4-12(15)18/h2-6H,7-10H2,1H3
InChIKeyAANHVNALJUODCN-UHFFFAOYSA-N
XLogP0.21
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one (CID 8897923) is 6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ccc1=O.
What is the InChIKey of 6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is AANHVNALJUODCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O4S/c1-20-14(23)6-5-13(19-20)16(24)21-7-9-22(10-8-21)27(25,26)15-11(17)3-2-4-12(15)18/h2-6H,7-10H2,1H3.
What are the key properties of 6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 398.39 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 8897923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).