N-diazo-2-methyl-6-nitrobenzenesulfonamide

C7H6N4O4S — CID 43452575

IUPACN-diazo-2-methyl-6-nitrobenzenesulfonamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C7H6N4O4S/c1-5-3-2-4-6(11(12)13)7(5)16(14,15)10-9-8/h2-4H,1H3
InChIKeyLOCBDTNVOMNRKC-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.90
Rot. Bonds3

About N-diazo-2-methyl-6-nitrobenzenesulfonamide

N-diazo-2-methyl-6-nitrobenzenesulfonamide (PubChem CID 43452575) has the molecular formula C7H6N4O4S and a molecular weight of 242.22 g/mol. Its IUPAC name is N-diazo-2-methyl-6-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-diazo-2-methyl-6-nitrobenzenesulfonamide
PubChem CID43452575
Molecular FormulaC7H6N4O4S
Molecular Weight242.22 g/mol
Exact Mass242.01
IUPAC NameN-diazo-2-methyl-6-nitrobenzenesulfonamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C7H6N4O4S/c1-5-3-2-4-6(11(12)13)7(5)16(14,15)10-9-8/h2-4H,1H3
InChIKeyLOCBDTNVOMNRKC-UHFFFAOYSA-N
XLogP1.90
TPSA126.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-nitrobenzenesulfonic acid;hydrochloride
CID 88828256
N,2-dimethyl-6-nitrobenzenesulfonamide
CID 43446418
2-(2-methyl-6-nitrophenyl)sulfonylethanesulfonamide
CID 113334102
2-methyl-N-[(2S)-3-methylbutan-2-yl]-6-nitrobenzenesulfonamide
CID 51946487
(3S)-1-(2-methyl-6-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115302171
2-methyl-6-nitro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716089
N-cyclopentyl-2-methyl-6-nitrobenzenesulfonamide
CID 47315253
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 103895100
N-(2,4-difluorophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60532982
(3R)-1-(2-methyl-6-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962817
N-(1-cyanoethyl)-2-methyl-6-nitrobenzenesulfonamide
CID 61123240
2-methyl-6-nitro-N-pentylbenzenesulfonamide
CID 47034876

Frequently Asked Questions

What is the IUPAC name of N-diazo-2-methyl-6-nitrobenzenesulfonamide?
The IUPAC name of N-diazo-2-methyl-6-nitrobenzenesulfonamide (CID 43452575) is N-diazo-2-methyl-6-nitrobenzenesulfonamide.
What is the SMILES notation for N-diazo-2-methyl-6-nitrobenzenesulfonamide?
The canonical SMILES for N-diazo-2-methyl-6-nitrobenzenesulfonamide is Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of N-diazo-2-methyl-6-nitrobenzenesulfonamide?
The InChIKey is LOCBDTNVOMNRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O4S/c1-5-3-2-4-6(11(12)13)7(5)16(14,15)10-9-8/h2-4H,1H3.
What are the key properties of N-diazo-2-methyl-6-nitrobenzenesulfonamide?
N-diazo-2-methyl-6-nitrobenzenesulfonamide has a molecular weight of 242.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-2-methyl-6-nitrobenzenesulfonamide is sourced from PubChem (CID 43452575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).