(1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide

C15H15N5O2S — CID 13165428

IUPAC(1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide
SMILESCc1ccc(/C(N=[N+]=[N-])=N/N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15N5O2S/c1-12-8-10-13(11-9-12)15(17-19-16)18-20(2)23(21,22)14-6-4-3-5-7-14/h3-11H,1-2H3/b18-15-
InChIKeyFVSULBBDBLJZKW-SDXDJHTJSA-N
MW329.39 g/mol
LogP3.29
Rot. Bonds4

About (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide

(1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide (PubChem CID 13165428) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide.

Molecular Properties

Compound Name(1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide
PubChem CID13165428
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name(1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide
SMILESCc1ccc(/C(N=[N+]=[N-])=N/N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15N5O2S/c1-12-8-10-13(11-9-12)15(17-19-16)18-20(2)23(21,22)14-6-4-3-5-7-14/h3-11H,1-2H3/b18-15-
InChIKeyFVSULBBDBLJZKW-SDXDJHTJSA-N
XLogP3.29
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
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-methylbenzenecarboximidoyl azide
CID 13165422
ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate
CID 71813563
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide
CID 12577971
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210993
N-(2-azidoprop-2-enyl)-4-methyl-N-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 135029329
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
[4-[benzenesulfonyl(methyl)amino]phenyl] 4-methylbenzoate
CID 71904345
N-diazo-4-methylbenzenesulfonamide
CID 13661
N-(benzenesulfonyl)-N,3-dimethylbenzamide
CID 47276844
3-[benzenesulfonyl(methyl)amino]-4-methylbenzoic acid
CID 100552976
N-(benzenesulfonyl)-N-[(4-methylphenyl)sulfanylmethyl]benzenesulfonamide
CID 132509348

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide?
The IUPAC name of (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide (CID 13165428) is (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide.
What is the SMILES notation for (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide?
The canonical SMILES for (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide is Cc1ccc(/C(N=[N+]=[N-])=N/N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide?
The InChIKey is FVSULBBDBLJZKW-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-12-8-10-13(11-9-12)15(17-19-16)18-20(2)23(21,22)14-6-4-3-5-7-14/h3-11H,1-2H3/b18-15-.
What are the key properties of (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide?
(1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide has a molecular weight of 329.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide is sourced from PubChem (CID 13165428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).