5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide

C27H23N5O2S — CID 86268298

IUPAC5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide
SMILESC[C@@H](Nc1nnc(-c2cncc(S(N)(=O)=O)c2)c2cccc(-c3ccccc3)c12)c1ccccc1
InChIInChI=1S/C27H23N5O2S/c1-18(19-9-4-2-5-10-19)30-27-25-23(20-11-6-3-7-12-20)13-8-14-24(25)26(31-32-27)21-15-22(17-29-16-21)35(28,33)34/h2-18H,1H3,(H,30,32)(H2,28,33,34)/t18-/m1/s1
InChIKeyNUIVMMIECAJKRS-GOSISDBHSA-N
MW481.58 g/mol
LogP5.18
Rot. Bonds6

About 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide

5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide (PubChem CID 86268298) has the molecular formula C27H23N5O2S and a molecular weight of 481.58 g/mol. Its IUPAC name is 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide
PubChem CID86268298
Molecular FormulaC27H23N5O2S
Molecular Weight481.58 g/mol
Exact Mass481.16
IUPAC Name5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide
SMILESC[C@@H](Nc1nnc(-c2cncc(S(N)(=O)=O)c2)c2cccc(-c3ccccc3)c12)c1ccccc1
InChIInChI=1S/C27H23N5O2S/c1-18(19-9-4-2-5-10-19)30-27-25-23(20-11-6-3-7-12-20)13-8-14-24(25)26(31-32-27)21-15-22(17-29-16-21)35(28,33)34/h2-18H,1H3,(H,30,32)(H2,28,33,34)/t18-/m1/s1
InChIKeyNUIVMMIECAJKRS-GOSISDBHSA-N
XLogP5.18
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide
CID 86267259
5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
CID 78323974
N-tert-butyl-5-[3-methylsulfanyl-8-phenyl-1-(1-phenylethylamino)isoquinolin-4-yl]pyridine-3-sulfonamide
CID 90425335
5-[1-(benzylamino)-3-chloro-8-phenylisoquinolin-4-yl]pyridine-3-sulfonamide
CID 118659301
N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 160673588
N-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 86270291
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
[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]urea
CID 86270485
5-[1-[(2,3-dichlorophenyl)methylamino]-8-phenylisoquinolin-3-yl]pyridine-3-sulfonamide
CID 118659365
N,2-dimethylpropan-2-amine;ethane;formaldehyde;methanol;4-(5-methyl-3-pyridinyl)-3-methylsulfanyl-8-phenyl-N-(1-phenylethyl)isoquinolin-1-amine
CID 144706441
4-[5-(1-aminoethenyl)-3-pyridinyl]-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 118679911
3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide
CID 71607913

Frequently Asked Questions

What is the IUPAC name of 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide (CID 86268298) is 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide is C[C@@H](Nc1nnc(-c2cncc(S(N)(=O)=O)c2)c2cccc(-c3ccccc3)c12)c1ccccc1.
What is the InChIKey of 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is NUIVMMIECAJKRS-GOSISDBHSA-N. The full InChI is InChI=1S/C27H23N5O2S/c1-18(19-9-4-2-5-10-19)30-27-25-23(20-11-6-3-7-12-20)13-8-14-24(25)26(31-32-27)21-15-22(17-29-16-21)35(28,33)34/h2-18H,1H3,(H,30,32)(H2,28,33,34)/t18-/m1/s1.
What are the key properties of 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide?
5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 481.58 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 86268298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).