4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide

C22H19N5O2S — CID 38114717

IUPAC4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=N\Nc2nncc3ccccc23)cc1
InChIInChI=1S/C22H19N5O2S/c1-16-10-12-19(13-11-16)30(28,29)27-21-9-5-3-7-18(21)15-24-26-22-20-8-4-2-6-17(20)14-23-25-22/h2-15,27H,1H3,(H,25,26)/b24-15-
InChIKeyJQAXDCPWCMYSSO-IWIPYMOSSA-N
MW417.49 g/mol
LogP4.19
Rot. Bonds6

About 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide

4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide (PubChem CID 38114717) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide
PubChem CID38114717
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=N\Nc2nncc3ccccc23)cc1
InChIInChI=1S/C22H19N5O2S/c1-16-10-12-19(13-11-16)30(28,29)27-21-9-5-3-7-18(21)15-24-26-22-20-8-4-2-6-17(20)14-23-25-22/h2-15,27H,1H3,(H,25,26)/b24-15-
InChIKeyJQAXDCPWCMYSSO-IWIPYMOSSA-N
XLogP4.19
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
4-methyl-N-[2-[4-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]butyliminomethyl]phenyl]benzenesulfonamide
CID 101241244
4-methyl-N-[2-[[4-[[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]methyl]phenyl]methyliminomethyl]phenyl]benzenesulfonamide
CID 102386798
N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine
CID 6795834
N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine
CID 95185537
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239
4-methyl-N-[2-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]propyliminomethyl]phenyl]benzenesulfonamide
CID 19589557
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]phthalazin-1-amine
CID 6148660
N-[1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 6795077
4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide
CID 54397689
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide (CID 38114717) is 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N\Nc2nncc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide?
The InChIKey is JQAXDCPWCMYSSO-IWIPYMOSSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-16-10-12-19(13-11-16)30(28,29)27-21-9-5-3-7-18(21)15-24-26-22-20-8-4-2-6-17(20)14-23-25-22/h2-15,27H,1H3,(H,25,26)/b24-15-.
What are the key properties of 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 38114717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).