N-diazo-3-methoxybenzenesulfonamide

C7H7N3O3S — CID 81259171

IUPACN-diazo-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N=[N+]=[N-])c1
InChIInChI=1S/C7H7N3O3S/c1-13-6-3-2-4-7(5-6)14(11,12)10-9-8/h2-5H,1H3
InChIKeyMDCXJUMZDFJNEG-UHFFFAOYSA-N
MW213.22 g/mol
LogP1.69
Rot. Bonds3

About N-diazo-3-methoxybenzenesulfonamide

N-diazo-3-methoxybenzenesulfonamide (PubChem CID 81259171) has the molecular formula C7H7N3O3S and a molecular weight of 213.22 g/mol. Its IUPAC name is N-diazo-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-diazo-3-methoxybenzenesulfonamide
PubChem CID81259171
Molecular FormulaC7H7N3O3S
Molecular Weight213.22 g/mol
Exact Mass213.02
IUPAC NameN-diazo-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N=[N+]=[N-])c1
InChIInChI=1S/C7H7N3O3S/c1-13-6-3-2-4-7(5-6)14(11,12)10-9-8/h2-5H,1H3
InChIKeyMDCXJUMZDFJNEG-UHFFFAOYSA-N
XLogP1.69
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 51.69
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-diazo-3-(2,3,4,5,6-pentabromocyclohexyl)oxybenzenesulfonamide
CID 54334871
1-(diazomethylsulfonyl)-3-methoxybenzene
CID 141438234
3-methoxybenzenesulfonamide
CID 14763060
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
N-diazo-3-isocyanatobenzenesulfonamide
CID 23454245
(3-methoxyphenyl)sulfonyl-methylazanide
CID 59280617
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
CID 172849383
CID 172849383
but-2-ene;3-methoxybenzenesulfonic acid
CID 175366995
dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane
CID 58227638
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756

Frequently Asked Questions

What is the IUPAC name of N-diazo-3-methoxybenzenesulfonamide?
The IUPAC name of N-diazo-3-methoxybenzenesulfonamide (CID 81259171) is N-diazo-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-diazo-3-methoxybenzenesulfonamide?
The canonical SMILES for N-diazo-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)N=[N+]=[N-])c1.
What is the InChIKey of N-diazo-3-methoxybenzenesulfonamide?
The InChIKey is MDCXJUMZDFJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S/c1-13-6-3-2-4-7(5-6)14(11,12)10-9-8/h2-5H,1H3.
What are the key properties of N-diazo-3-methoxybenzenesulfonamide?
N-diazo-3-methoxybenzenesulfonamide has a molecular weight of 213.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81259171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).