N-diazo-2-methoxy-5-nitrobenzenesulfonamide

C7H6N4O5S — CID 43286701

IUPACN-diazo-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C7H6N4O5S/c1-16-6-3-2-5(11(12)13)4-7(6)17(14,15)10-9-8/h2-4H,1H3
InChIKeyZBPROXHWPJJHRV-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.60
Rot. Bonds4

About N-diazo-2-methoxy-5-nitrobenzenesulfonamide

N-diazo-2-methoxy-5-nitrobenzenesulfonamide (PubChem CID 43286701) has the molecular formula C7H6N4O5S and a molecular weight of 258.21 g/mol. Its IUPAC name is N-diazo-2-methoxy-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-diazo-2-methoxy-5-nitrobenzenesulfonamide
PubChem CID43286701
Molecular FormulaC7H6N4O5S
Molecular Weight258.21 g/mol
Exact Mass258.01
IUPAC NameN-diazo-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C7H6N4O5S/c1-16-6-3-2-5(11(12)13)4-7(6)17(14,15)10-9-8/h2-4H,1H3
InChIKeyZBPROXHWPJJHRV-UHFFFAOYSA-N
XLogP1.60
TPSA135.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxy-5-nitro-N-propylbenzenesulfonamide
CID 43213176
2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
CID 82723411
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822749
N-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324
2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
CID 61397125
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
N-but-3-yn-2-yl-2-methoxy-5-nitrobenzenesulfonamide
CID 114419146
2-methoxy-5-nitro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55434492
N-(1-cyanopropan-2-yl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 63224457
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-5-nitrobenzenesulfonamide;hydrochloride
CID 119981158

Frequently Asked Questions

What is the IUPAC name of N-diazo-2-methoxy-5-nitrobenzenesulfonamide?
The IUPAC name of N-diazo-2-methoxy-5-nitrobenzenesulfonamide (CID 43286701) is N-diazo-2-methoxy-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-diazo-2-methoxy-5-nitrobenzenesulfonamide?
The canonical SMILES for N-diazo-2-methoxy-5-nitrobenzenesulfonamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of N-diazo-2-methoxy-5-nitrobenzenesulfonamide?
The InChIKey is ZBPROXHWPJJHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O5S/c1-16-6-3-2-5(11(12)13)4-7(6)17(14,15)10-9-8/h2-4H,1H3.
What are the key properties of N-diazo-2-methoxy-5-nitrobenzenesulfonamide?
N-diazo-2-methoxy-5-nitrobenzenesulfonamide has a molecular weight of 258.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-2-methoxy-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43286701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).