N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide

C24H19N3O5S — CID 87843255

IUPACN-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide
SMILESO=[N+]([O-])c1cccc(COc2cccc(/C=N\NS(=O)(=O)c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C24H19N3O5S/c28-27(29)22-9-3-6-19(13-22)17-32-23-10-4-5-18(14-23)16-25-26-33(30,31)24-12-11-20-7-1-2-8-21(20)15-24/h1-16,26H,17H2/b25-16-
InChIKeyNZGVOVWVFLKTRY-XYGWBWBKSA-N
MW461.50 g/mol
LogP4.64
Rot. Bonds8

About N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide

N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide (PubChem CID 87843255) has the molecular formula C24H19N3O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide
PubChem CID87843255
Molecular FormulaC24H19N3O5S
Molecular Weight461.50 g/mol
Exact Mass461.10
IUPAC NameN-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide
SMILESO=[N+]([O-])c1cccc(COc2cccc(/C=N\NS(=O)(=O)c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C24H19N3O5S/c28-27(29)22-9-3-6-19(13-22)17-32-23-10-4-5-18(14-23)16-25-26-33(30,31)24-12-11-20-7-1-2-8-21(20)15-24/h1-16,26H,17H2/b25-16-
InChIKeyNZGVOVWVFLKTRY-XYGWBWBKSA-N
XLogP4.64
TPSA110.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3-nitrophenyl)methylideneamino]-4-phenoxybenzenesulfonamide
CID 3891977
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
CID 3813802
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517273
3-nitro-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517374
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N-(2-methoxyphenyl)-5-nitro-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 3373786
N-[(4-hydroxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 3881304
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525501
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide
CID 69461038
2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
CID 6132295

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide?
The IUPAC name of N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide (CID 87843255) is N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide is O=[N+]([O-])c1cccc(COc2cccc(/C=N\NS(=O)(=O)c3ccc4ccccc4c3)c2)c1.
What is the InChIKey of N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide?
The InChIKey is NZGVOVWVFLKTRY-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H19N3O5S/c28-27(29)22-9-3-6-19(13-22)17-32-23-10-4-5-18(14-23)16-25-26-33(30,31)24-12-11-20-7-1-2-8-21(20)15-24/h1-16,26H,17H2/b25-16-.
What are the key properties of N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide?
N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide has a molecular weight of 461.50 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-sulfonamide is sourced from PubChem (CID 87843255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).