N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide

C24H26N4O8S — CID 4164524

IUPACN-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NN=C(C)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H26N4O8S/c1-15(16-12-22(34-3)24(36-5)23(13-16)35-4)25-26-18-11-10-17(14-20(18)28(29)30)37(31,32)27-19-8-6-7-9-21(19)33-2/h6-14,26-27H,1-5H3
InChIKeyGFQYPAFWCCBHCK-UHFFFAOYSA-N
MW530.56 g/mol
LogP4.27
Rot. Bonds11

About N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide

N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide (PubChem CID 4164524) has the molecular formula C24H26N4O8S and a molecular weight of 530.56 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
PubChem CID4164524
Molecular FormulaC24H26N4O8S
Molecular Weight530.56 g/mol
Exact Mass530.15
IUPAC NameN-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NN=C(C)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H26N4O8S/c1-15(16-12-22(34-3)24(36-5)23(13-16)35-4)25-26-18-11-10-17(14-20(18)28(29)30)37(31,32)27-19-8-6-7-9-21(19)33-2/h6-14,26-27H,1-5H3
InChIKeyGFQYPAFWCCBHCK-UHFFFAOYSA-N
XLogP4.27
TPSA150.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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
2-nitro-N-[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 6006376
N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide
CID 9060745
4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3322676
4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135679677
N-(2-methoxyphenyl)-4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5221183
N-(2-methoxyphenyl)-4-[2-[(2-methylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4121073
4-[(2E)-2-[(2,3-dihydroxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135683885
4-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6010511
N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 3647565
4-[(2E)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135607771
4-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6281117

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide (CID 4164524) is N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(NN=C(C)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is GFQYPAFWCCBHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O8S/c1-15(16-12-22(34-3)24(36-5)23(13-16)35-4)25-26-18-11-10-17(14-20(18)28(29)30)37(31,32)27-19-8-6-7-9-21(19)33-2/h6-14,26-27H,1-5H3.
What are the key properties of N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide?
N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 530.56 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 4164524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).