N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide

C21H19N5O7S — CID 3647565

IUPACN-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NN=C(C)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H19N5O7S/c1-14(15-4-3-5-17(12-15)25(27)28)22-23-20-11-10-19(13-21(20)26(29)30)34(31,32)24-16-6-8-18(33-2)9-7-16/h3-13,23-24H,1-2H3
InChIKeyHPLCPUBEARQPBP-UHFFFAOYSA-N
MW485.48 g/mol
LogP4.15
Rot. Bonds9

About N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide

N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide (PubChem CID 3647565) has the molecular formula C21H19N5O7S and a molecular weight of 485.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
PubChem CID3647565
Molecular FormulaC21H19N5O7S
Molecular Weight485.48 g/mol
Exact Mass485.10
IUPAC NameN-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NN=C(C)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H19N5O7S/c1-14(15-4-3-5-17(12-15)25(27)28)22-23-20-11-10-19(13-21(20)26(29)30)34(31,32)24-16-6-8-18(33-2)9-7-16/h3-13,23-24H,1-2H3
InChIKeyHPLCPUBEARQPBP-UHFFFAOYSA-N
XLogP4.15
TPSA166.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-3-nitro-4-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 97058149
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 42991101
4-[(2E)-2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135613704
N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 5144698
4-(2-cyclohexylidenehydrazinyl)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 4627079
N-(4-methoxyphenyl)-4-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6153192
N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 4164524
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 6270425
4-[2-[1-(4-cyanophenyl)ethylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide
CID 3543009
N-(3-chlorophenyl)-4-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3940614
4-[2-(2-adamantylidene)hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 4997102
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide (CID 3647565) is N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(NN=C(C)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is HPLCPUBEARQPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O7S/c1-14(15-4-3-5-17(12-15)25(27)28)22-23-20-11-10-19(13-21(20)26(29)30)34(31,32)24-16-6-8-18(33-2)9-7-16/h3-13,23-24H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 485.48 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 3647565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).