(1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide

C14H10N6O2S — CID 13165425

IUPAC(1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide
SMILESN#Cc1ccc(/C(N=[N+]=[N-])=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H10N6O2S/c15-10-11-6-8-12(9-7-11)14(17-19-16)18-20-23(21,22)13-4-2-1-3-5-13/h1-9,20H/b18-14-
InChIKeyYRRYPJZZCIITAD-JXAWBTAJSA-N
MW326.34 g/mol
LogP2.51
Rot. Bonds4

About (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide

(1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide (PubChem CID 13165425) has the molecular formula C14H10N6O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide.

Molecular Properties

Compound Name(1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide
PubChem CID13165425
Molecular FormulaC14H10N6O2S
Molecular Weight326.34 g/mol
Exact Mass326.06
IUPAC Name(1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide
SMILESN#Cc1ccc(/C(N=[N+]=[N-])=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H10N6O2S/c15-10-11-6-8-12(9-7-11)14(17-19-16)18-20-23(21,22)13-4-2-1-3-5-13/h1-9,20H/b18-14-
InChIKeyYRRYPJZZCIITAD-JXAWBTAJSA-N
XLogP2.51
TPSA131.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide
CID 13165422
N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide
CID 135052091
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
(1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide
CID 13165428
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
CID 5397914
(2R)-2-(benzenesulfonamido)-3-(4-cyanophenyl)propanoic acid
CID 1491108
4-[(E)-C-acetyl-N-anilinocarbonimidoyl]benzonitrile
CID 123575192
(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane
CID 91067618
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide?
The IUPAC name of (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide (CID 13165425) is (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide.
What is the SMILES notation for (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide?
The canonical SMILES for (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide is N#Cc1ccc(/C(N=[N+]=[N-])=N/NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide?
The InChIKey is YRRYPJZZCIITAD-JXAWBTAJSA-N. The full InChI is InChI=1S/C14H10N6O2S/c15-10-11-6-8-12(9-7-11)14(17-19-16)18-20-23(21,22)13-4-2-1-3-5-13/h1-9,20H/b18-14-.
What are the key properties of (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide?
(1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide has a molecular weight of 326.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(benzenesulfonamido)-4-cyanobenzenecarboximidoyl azide is sourced from PubChem (CID 13165425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).