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

C17H16FN3O4S — CID 71779499

IUPAC5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C17H16FN3O4S/c1-21-17(22)13-6-4-3-5-12(13)14(20-21)10-19-26(23,24)16-9-11(18)7-8-15(16)25-2/h3-9,19H,10H2,1-2H3
InChIKeyLCSRZYMNLYBLDD-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.56
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide (PubChem CID 71779499) has the molecular formula C17H16FN3O4S and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide
PubChem CID71779499
Molecular FormulaC17H16FN3O4S
Molecular Weight377.40 g/mol
Exact Mass377.08
IUPAC Name5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C17H16FN3O4S/c1-21-17(22)13-6-4-3-5-12(13)14(20-21)10-19-26(23,24)16-9-11(18)7-8-15(16)25-2/h3-9,19H,10H2,1-2H3
InChIKeyLCSRZYMNLYBLDD-UHFFFAOYSA-N
XLogP1.56
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide (CID 71779499) is 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide?
The InChIKey is LCSRZYMNLYBLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S/c1-21-17(22)13-6-4-3-5-12(13)14(20-21)10-19-26(23,24)16-9-11(18)7-8-15(16)25-2/h3-9,19H,10H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide has a molecular weight of 377.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71779499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).