N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide

C20H17N7O2S — CID 135052091

IUPACN-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide
SMILES[N-]=[N+]=NC/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H17N7O2S/c21-26-22-15-20(25-27-30(28,29)19-9-5-2-6-10-19)16-11-13-18(14-12-16)24-23-17-7-3-1-4-8-17/h1-14,27H,15H2/b24-23+,25-20+
InChIKeyQGLCVPYGYGPIBP-LPDBMSBDSA-N
MW419.47 g/mol
LogP5.09
Rot. Bonds8

About N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide

N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide (PubChem CID 135052091) has the molecular formula C20H17N7O2S and a molecular weight of 419.47 g/mol. Its IUPAC name is N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide
PubChem CID135052091
Molecular FormulaC20H17N7O2S
Molecular Weight419.47 g/mol
Exact Mass419.12
IUPAC NameN-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide
SMILES[N-]=[N+]=NC/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H17N7O2S/c21-26-22-15-20(25-27-30(28,29)19-9-5-2-6-10-19)16-11-13-18(14-12-16)24-23-17-7-3-1-4-8-17/h1-14,27H,15H2/b24-23+,25-20+
InChIKeyQGLCVPYGYGPIBP-LPDBMSBDSA-N
XLogP5.09
TPSA132.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
(1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide
CID 13165422
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
(1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide
CID 13165425
1,2-bis[(Z)-(2-azido-1-phenylethylidene)amino]guanidine
CID 86279334
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 3796492

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide?
The IUPAC name of N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide (CID 135052091) is N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide is [N-]=[N+]=NC/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide?
The InChIKey is QGLCVPYGYGPIBP-LPDBMSBDSA-N. The full InChI is InChI=1S/C20H17N7O2S/c21-26-22-15-20(25-27-30(28,29)19-9-5-2-6-10-19)16-11-13-18(14-12-16)24-23-17-7-3-1-4-8-17/h1-14,27H,15H2/b24-23+,25-20+.
What are the key properties of N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide?
N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide has a molecular weight of 419.47 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide is sourced from PubChem (CID 135052091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).