N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide

C23H19F3N4O2S — CID 1386159

IUPACN,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)ccc1C
InChIInChI=1S/C23H19F3N4O2S/c1-14-10-11-15(12-20(14)33(31,32)27-2)21-18-8-3-4-9-19(18)22(30-29-21)28-17-7-5-6-16(13-17)23(24,25)26/h3-13,27H,1-2H3,(H,28,30)
InChIKeySBQPCRQRIFAVGM-UHFFFAOYSA-N
MW472.49 g/mol
LogP5.28
Rot. Bonds5

About N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide

N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide (PubChem CID 1386159) has the molecular formula C23H19F3N4O2S and a molecular weight of 472.49 g/mol. Its IUPAC name is N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide
PubChem CID1386159
Molecular FormulaC23H19F3N4O2S
Molecular Weight472.49 g/mol
Exact Mass472.12
IUPAC NameN,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)ccc1C
InChIInChI=1S/C23H19F3N4O2S/c1-14-10-11-15(12-20(14)33(31,32)27-2)21-18-8-3-4-9-19(18)22(30-29-21)28-17-7-5-6-16(13-17)23(24,25)26/h3-13,27H,1-2H3,(H,28,30)
InChIKeySBQPCRQRIFAVGM-UHFFFAOYSA-N
XLogP5.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.49
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[4-(3-chloroanilino)phthalazin-1-yl]-N,2-dimethylbenzenesulfonamide
CID 1390975
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide
CID 1416169
5-[4-(3-hydroxyanilino)phthalazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzenesulfonamide;methane
CID 158554257
N-(1,2-dihydroxypropan-2-yl)-5-[4-(3-hydroxyanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide
CID 58257305
N-(1,2-dihydroxypropan-2-yl)-5-[4-(3-hydroxyanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide;methane
CID 159364440
5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
CID 3149668
N-benzyl-2-methyl-5-[4-[4-(trifluoromethoxy)anilino]phthalazin-1-yl]benzenesulfonamide
CID 5292284
5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6404016
5-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-cyclohexyl-2-methylbenzenesulfonamide
CID 5292454
N-[2-(3,4-diethoxyphenyl)ethyl]-5-[4-(3-hydroxyanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide
CID 5292464
N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine
CID 1415597
5-[[4-[3-(butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide
CID 6407167

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide (CID 1386159) is N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide is CNS(=O)(=O)c1cc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide?
The InChIKey is SBQPCRQRIFAVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2S/c1-14-10-11-15(12-20(14)33(31,32)27-2)21-18-8-3-4-9-19(18)22(30-29-21)28-17-7-5-6-16(13-17)23(24,25)26/h3-13,27H,1-2H3,(H,28,30).
What are the key properties of N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide?
N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide has a molecular weight of 472.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 1386159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).