N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide

C15H12FN3O4S — CID 110734574

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(=O)[nH][nH]c(=O)c3c2)ccc1F
InChIInChI=1S/C15H12FN3O4S/c1-8-6-10(3-5-13(8)16)24(22,23)19-9-2-4-11-12(7-9)15(21)18-17-14(11)20/h2-7,19H,1H3,(H,17,20)(H,18,21)
InChIKeyXUVWXABBPKFNDA-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.46
Rot. Bonds3

About N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide

N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 110734574) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID110734574
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(=O)[nH][nH]c(=O)c3c2)ccc1F
InChIInChI=1S/C15H12FN3O4S/c1-8-6-10(3-5-13(8)16)24(22,23)19-9-2-4-11-12(7-9)15(21)18-17-14(11)20/h2-7,19H,1H3,(H,17,20)(H,18,21)
InChIKeyXUVWXABBPKFNDA-UHFFFAOYSA-N
XLogP1.46
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724965
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 62812698
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 110732433
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide (CID 110734574) is N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3c(=O)[nH][nH]c(=O)c3c2)ccc1F.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is XUVWXABBPKFNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c1-8-6-10(3-5-13(8)16)24(22,23)19-9-2-4-11-12(7-9)15(21)18-17-14(11)20/h2-7,19H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 349.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 110734574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).