N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine

C26H26FN5O2S — CID 1415597

IUPACN-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C26H26FN5O2S/c1-18-7-8-19(17-24(18)35(33,34)32-15-13-31(2)14-16-32)25-22-5-3-4-6-23(22)26(30-29-25)28-21-11-9-20(27)10-12-21/h3-12,17H,13-16H2,1-2H3,(H,28,30)
InChIKeyRUQNUXBKVFXEOL-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.42
Rot. Bonds5

About N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine

N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine (PubChem CID 1415597) has the molecular formula C26H26FN5O2S and a molecular weight of 491.59 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine
PubChem CID1415597
Molecular FormulaC26H26FN5O2S
Molecular Weight491.59 g/mol
Exact Mass491.18
IUPAC NameN-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C26H26FN5O2S/c1-18-7-8-19(17-24(18)35(33,34)32-15-13-31(2)14-16-32)25-22-5-3-4-6-23(22)26(30-29-25)28-21-11-9-20(27)10-12-21/h3-12,17H,13-16H2,1-2H3,(H,28,30)
InChIKeyRUQNUXBKVFXEOL-UHFFFAOYSA-N
XLogP4.42
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
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N,2-dimethyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide
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5-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-cyclohexyl-2-methylbenzenesulfonamide
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N-benzyl-2-methyl-5-[4-[4-(trifluoromethoxy)anilino]phthalazin-1-yl]benzenesulfonamide
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N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine
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N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]benzenesulfonamide;hydrochloride
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2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-one
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2-methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
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2-[4-[[4-[3-(diethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]phenoxy]acetamide
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3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 56922332
5-[4-(3-hydroxyanilino)phthalazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzenesulfonamide;methane
CID 158554257

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine?
The IUPAC name of N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine (CID 1415597) is N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine is Cc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine?
The InChIKey is RUQNUXBKVFXEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2S/c1-18-7-8-19(17-24(18)35(33,34)32-15-13-31(2)14-16-32)25-22-5-3-4-6-23(22)26(30-29-25)28-21-11-9-20(27)10-12-21/h3-12,17H,13-16H2,1-2H3,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine?
N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine has a molecular weight of 491.59 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine is sourced from PubChem (CID 1415597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).