4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide

C18H17N5O6S — CID 18164851

IUPAC4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N5O6S/c1-29-11-6-8-12(9-7-11)30(27,28)19-10-15(24)20-23-18(26)16-13-4-2-3-5-14(13)17(25)22-21-16/h2-9,19H,10H2,1H3,(H,20,24)(H,22,25)(H,23,26)
InChIKeyZUAJGHZHPXBHOZ-UHFFFAOYSA-N
MW431.43 g/mol
LogP-0.33
Rot. Bonds6

About 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide

4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide (PubChem CID 18164851) has the molecular formula C18H17N5O6S and a molecular weight of 431.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
PubChem CID18164851
Molecular FormulaC18H17N5O6S
Molecular Weight431.43 g/mol
Exact Mass431.09
IUPAC Name4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N5O6S/c1-29-11-6-8-12(9-7-11)30(27,28)19-10-15(24)20-23-18(26)16-13-4-2-3-5-14(13)17(25)22-21-16/h2-9,19H,10H2,1H3,(H,20,24)(H,22,25)(H,23,26)
InChIKeyZUAJGHZHPXBHOZ-UHFFFAOYSA-N
XLogP-0.33
TPSA159.35 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
CID 21213715
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55587037
N'-(4-methylpentanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873554
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907326
N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18158719
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907393
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
CID 24643715
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 35677956
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide (CID 18164851) is 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
The InChIKey is ZUAJGHZHPXBHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O6S/c1-29-11-6-8-12(9-7-11)30(27,28)19-10-15(24)20-23-18(26)16-13-4-2-3-5-14(13)17(25)22-21-16/h2-9,19H,10H2,1H3,(H,20,24)(H,22,25)(H,23,26).
What are the key properties of 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide has a molecular weight of 431.43 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 18164851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).