N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide

C18H15N5O6S — CID 3847354

IUPACN-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESCN(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H15N5O6S/c1-21(20-30(28,29)15-9-7-14(8-10-15)23(26)27)18(25)17-16(24)11-12-22(19-17)13-5-3-2-4-6-13/h2-12,20H,1H3
InChIKeyRXGCSGZHEMBFAV-UHFFFAOYSA-N
MW429.41 g/mol
LogP1.11
Rot. Bonds6

About N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide

N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide (PubChem CID 3847354) has the molecular formula C18H15N5O6S and a molecular weight of 429.41 g/mol. Its IUPAC name is N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
PubChem CID3847354
Molecular FormulaC18H15N5O6S
Molecular Weight429.41 g/mol
Exact Mass429.07
IUPAC NameN-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESCN(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1nn(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H15N5O6S/c1-21(20-30(28,29)15-9-7-14(8-10-15)23(26)27)18(25)17-16(24)11-12-22(19-17)13-5-3-2-4-6-13/h2-12,20H,1H3
InChIKeyRXGCSGZHEMBFAV-UHFFFAOYSA-N
XLogP1.11
TPSA144.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)-1,4-dihydropyridazine-3-carboxamide
CID 16454049
1-[3-(butylsulfamoyl)phenyl]-N,4-dioxopyridazine-3-carboxamide
CID 137506495
N-{4-[methyl(phenyl)sulfamoyl]phenyl}-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
CID 16453172
N-{4-[ethyl(phenyl)sulfamoyl]phenyl}-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
CID 16454434
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55389430

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The IUPAC name of N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide (CID 3847354) is N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide.
What is the SMILES notation for N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The canonical SMILES for N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide is CN(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1nn(-c2ccccc2)ccc1=O.
What is the InChIKey of N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The InChIKey is RXGCSGZHEMBFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O6S/c1-21(20-30(28,29)15-9-7-14(8-10-15)23(26)27)18(25)17-16(24)11-12-22(19-17)13-5-3-2-4-6-13/h2-12,20H,1H3.
What are the key properties of N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide has a molecular weight of 429.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide is sourced from PubChem (CID 3847354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).