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

C14H13N5O2S — CID 13165422

IUPAC(1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide
SMILESCc1ccc(/C(N=[N+]=[N-])=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13N5O2S/c1-11-7-9-12(10-8-11)14(16-18-15)17-19-22(20,21)13-5-3-2-4-6-13/h2-10,19H,1H3/b17-14-
InChIKeyQTKSKPCMTQYTCF-VKAVYKQESA-N
MW315.36 g/mol
LogP2.95
Rot. Bonds4

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

(1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide (PubChem CID 13165422) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is (1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide.

Molecular Properties

Compound Name(1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide
PubChem CID13165422
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name(1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide
SMILESCc1ccc(/C(N=[N+]=[N-])=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13N5O2S/c1-11-7-9-12(10-8-11)14(16-18-15)17-19-22(20,21)13-5-3-2-4-6-13/h2-10,19H,1H3/b17-14-
InChIKeyQTKSKPCMTQYTCF-VKAVYKQESA-N
XLogP2.95
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyanobenzenecarboximidoyl azide
CID 13165425
(1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide
CID 13165428
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 137357878
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
N-[(Z)-[2-azido-1-(4-phenyldiazenylphenyl)ethylidene]amino]benzenesulfonamide
CID 135052091
4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
CID 6383602
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide?
The IUPAC name of (1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide (CID 13165422) is (1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide.
What is the SMILES notation for (1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide?
The canonical SMILES for (1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide is Cc1ccc(/C(N=[N+]=[N-])=N/NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide?
The InChIKey is QTKSKPCMTQYTCF-VKAVYKQESA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-11-7-9-12(10-8-11)14(16-18-15)17-19-22(20,21)13-5-3-2-4-6-13/h2-10,19H,1H3/b17-14-.
What are the key properties of (1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide?
(1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide has a molecular weight of 315.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(benzenesulfonamido)-4-methylbenzenecarboximidoyl azide is sourced from PubChem (CID 13165422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).