2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide

C16H14FN3O3S — CID 71779501

IUPAC2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccccc2F)c2ccccc2c1=O
InChIInChI=1S/C16H14FN3O3S/c1-20-16(21)12-7-3-2-6-11(12)14(19-20)10-18-24(22,23)15-9-5-4-8-13(15)17/h2-9,18H,10H2,1H3
InChIKeyARPAAZRMAUHWAU-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.55
Rot. Bonds4

About 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide

2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide (PubChem CID 71779501) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide
PubChem CID71779501
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccccc2F)c2ccccc2c1=O
InChIInChI=1S/C16H14FN3O3S/c1-20-16(21)12-7-3-2-6-11(12)14(19-20)10-18-24(22,23)15-9-5-4-8-13(15)17/h2-9,18H,10H2,1H3
InChIKeyARPAAZRMAUHWAU-UHFFFAOYSA-N
XLogP1.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide (CID 71779501) is 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide is Cn1nc(CNS(=O)(=O)c2ccccc2F)c2ccccc2c1=O.
What is the InChIKey of 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide?
The InChIKey is ARPAAZRMAUHWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-20-16(21)12-7-3-2-6-11(12)14(19-20)10-18-24(22,23)15-9-5-4-8-13(15)17/h2-9,18H,10H2,1H3.
What are the key properties of 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide has a molecular weight of 347.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71779501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).