5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide

C27H23N5O3S — CID 86267259

IUPAC5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide
SMILESCOc1ccccc1CNc1nnc(-c2cncc(S(N)(=O)=O)c2)c2cccc(-c3ccccc3)c12
InChIInChI=1S/C27H23N5O3S/c1-35-24-13-6-5-10-19(24)16-30-27-25-22(18-8-3-2-4-9-18)11-7-12-23(25)26(31-32-27)20-14-21(17-29-15-20)36(28,33)34/h2-15,17H,16H2,1H3,(H,30,32)(H2,28,33,34)
InChIKeyLOAWDYASILKXAB-UHFFFAOYSA-N
MW497.58 g/mol
LogP4.63
Rot. Bonds7

About 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide

5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide (PubChem CID 86267259) has the molecular formula C27H23N5O3S and a molecular weight of 497.58 g/mol. Its IUPAC name is 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide
PubChem CID86267259
Molecular FormulaC27H23N5O3S
Molecular Weight497.58 g/mol
Exact Mass497.15
IUPAC Name5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide
SMILESCOc1ccccc1CNc1nnc(-c2cncc(S(N)(=O)=O)c2)c2cccc(-c3ccccc3)c12
InChIInChI=1S/C27H23N5O3S/c1-35-24-13-6-5-10-19(24)16-30-27-25-22(18-8-3-2-4-9-18)11-7-12-23(25)26(31-32-27)20-14-21(17-29-15-20)36(28,33)34/h2-15,17H,16H2,1H3,(H,30,32)(H2,28,33,34)
InChIKeyLOAWDYASILKXAB-UHFFFAOYSA-N
XLogP4.63
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide
CID 86268298
5-[1-(benzylamino)-3-chloro-8-phenylisoquinolin-4-yl]pyridine-3-sulfonamide
CID 118659301
5-[1-[(2,3-dichlorophenyl)methylamino]-8-phenylisoquinolin-3-yl]pyridine-3-sulfonamide
CID 118659365
N-tert-butyl-5-[8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-4-yl]pyridine-3-sulfonamide;5-[8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-4-yl]pyridine-3-sulfonamide
CID 158818478
4-[5-(1-aminoethenyl)-3-pyridinyl]-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 118679911
azane;ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)phthalazin-1-yl]pyridine-3-carboxylate;5-[5-phenyl-4-(pyridin-2-ylmethylamino)phthalazin-1-yl]pyridine-3-carboxamide
CID 161382134
5-[1-[(2,6-difluorophenyl)methylamino]-8-phenylpyrrolo[1,2-d][1,2,4]triazin-4-yl]pyridine-3-sulfonamide
CID 86270205
4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine
CID 86267455
4-[[4-(2-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
CID 174726378
N-butyl-5-[4-methyl-8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-3-yl]pyridine-3-sulfonamide
CID 90425098
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886862

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide (CID 86267259) is 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide is COc1ccccc1CNc1nnc(-c2cncc(S(N)(=O)=O)c2)c2cccc(-c3ccccc3)c12.
What is the InChIKey of 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is LOAWDYASILKXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3S/c1-35-24-13-6-5-10-19(24)16-30-27-25-22(18-8-3-2-4-9-18)11-7-12-23(25)26(31-32-27)20-14-21(17-29-15-20)36(28,33)34/h2-15,17H,16H2,1H3,(H,30,32)(H2,28,33,34).
What are the key properties of 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide?
5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 497.58 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 86267259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).