4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide

C23H19N5O5S — CID 55662956

IUPAC4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c2ccccc2c1=O
InChIInChI=1S/C23H19N5O5S/c1-2-12-28-23(31)14-7-4-3-6-13(14)20(26-28)22(30)25-27-34(32,33)18-11-10-17-19-15(18)8-5-9-16(19)21(29)24-17/h3-11,27H,2,12H2,1H3,(H,24,29)(H,25,30)
InChIKeyLTKXYYMJGDNKGA-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.15
Rot. Bonds6

About 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide

4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide (PubChem CID 55662956) has the molecular formula C23H19N5O5S and a molecular weight of 477.50 g/mol. Its IUPAC name is 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide
PubChem CID55662956
Molecular FormulaC23H19N5O5S
Molecular Weight477.50 g/mol
Exact Mass477.11
IUPAC Name4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c2ccccc2c1=O
InChIInChI=1S/C23H19N5O5S/c1-2-12-28-23(31)14-7-4-3-6-13(14)20(26-28)22(30)25-27-34(32,33)18-11-10-17-19-15(18)8-5-9-16(19)21(29)24-17/h3-11,27H,2,12H2,1H3,(H,24,29)(H,25,30)
InChIKeyLTKXYYMJGDNKGA-UHFFFAOYSA-N
XLogP2.15
TPSA139.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 29425395
methyl 3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]sulfamoyl]thiophene-2-carboxylate
CID 24563195
N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949643
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 24602616
N'-(2,5-dichlorophenyl)sulfonyl-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2080680
N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26950404
4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide
CID 55507090
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 30867720
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide (CID 55662956) is 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide?
The InChIKey is LTKXYYMJGDNKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O5S/c1-2-12-28-23(31)14-7-4-3-6-13(14)20(26-28)22(30)25-27-34(32,33)18-11-10-17-19-15(18)8-5-9-16(19)21(29)24-17/h3-11,27H,2,12H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide?
4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide has a molecular weight of 477.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonyl]-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 55662956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).