N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide

C20H19N3O6S — CID 175215120

IUPACN-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide
SMILESCOc1ccc(NN(c2ccc(OC)cc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O6S/c1-28-16-10-8-15(9-11-16)21-22(30(26,27)18-6-4-3-5-7-18)19-13-12-17(29-2)14-20(19)23(24)25/h3-14,21H,1-2H3
InChIKeyUBYUFPXVEDMYJH-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.83
Rot. Bonds8

About N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide

N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide (PubChem CID 175215120) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide
PubChem CID175215120
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC NameN-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide
SMILESCOc1ccc(NN(c2ccc(OC)cc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O6S/c1-28-16-10-8-15(9-11-16)21-22(30(26,27)18-6-4-3-5-7-18)19-13-12-17(29-2)14-20(19)23(24)25/h3-14,21H,1-2H3
InChIKeyUBYUFPXVEDMYJH-UHFFFAOYSA-N
XLogP3.83
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-[(4-methoxy-2-nitrophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
CID 24621801
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 18274871
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
N-benzyl-4-methoxy-2-nitro-N-propan-2-ylbenzenesulfonamide
CID 31066402
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
5-methoxy-2-nitro-N,N-diphenylaniline
CID 67365433
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3,5-dinitrobenzamide
CID 19210794
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 31070036
(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate
CID 127037917
N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148017
4-methoxy-N-methyl-2-nitro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 55512730

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide (CID 175215120) is N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide is COc1ccc(NN(c2ccc(OC)cc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide?
The InChIKey is UBYUFPXVEDMYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S/c1-28-16-10-8-15(9-11-16)21-22(30(26,27)18-6-4-3-5-7-18)19-13-12-17(29-2)14-20(19)23(24)25/h3-14,21H,1-2H3.
What are the key properties of N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide?
N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide has a molecular weight of 429.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide is sourced from PubChem (CID 175215120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).