2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide

C23H24FN3O3S — CID 50751286

IUPAC2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide
SMILESCCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C23H24FN3O3S/c1-3-15-11-12-16(22-19-9-4-5-10-20(19)23(28)27(2)25-22)13-21(15)31(29,30)26-18-8-6-7-17(24)14-18/h6-8,11-14,26H,3-5,9-10H2,1-2H3
InChIKeyATHGVWOSUGIYCC-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.83
Rot. Bonds5

About 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide

2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide (PubChem CID 50751286) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide
PubChem CID50751286
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide
SMILESCCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C23H24FN3O3S/c1-3-15-11-12-16(22-19-9-4-5-10-20(19)23(28)27(2)25-22)13-21(15)31(29,30)26-18-8-6-7-17(24)14-18/h6-8,11-14,26H,3-5,9-10H2,1-2H3
InChIKeyATHGVWOSUGIYCC-UHFFFAOYSA-N
XLogP3.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide (CID 50751286) is 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide is CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide?
The InChIKey is ATHGVWOSUGIYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-3-15-11-12-16(22-19-9-4-5-10-20(19)23(28)27(2)25-22)13-21(15)31(29,30)26-18-8-6-7-17(24)14-18/h6-8,11-14,26H,3-5,9-10H2,1-2H3.
What are the key properties of 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide?
2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide has a molecular weight of 441.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 50751286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).