N-diazo-6-methylpyridine-2-sulfonamide

C6H6N4O2S — CID 119097894

IUPACN-diazo-6-methylpyridine-2-sulfonamide
SMILESCc1cccc(S(=O)(=O)N=[N+]=[N-])n1
InChIInChI=1S/C6H6N4O2S/c1-5-3-2-4-6(8-5)13(11,12)10-9-7/h2-4H,1H3
InChIKeyCNHWLKVLHAQYDO-UHFFFAOYSA-N
MW198.21 g/mol
LogP1.39
Rot. Bonds2

About N-diazo-6-methylpyridine-2-sulfonamide

N-diazo-6-methylpyridine-2-sulfonamide (PubChem CID 119097894) has the molecular formula C6H6N4O2S and a molecular weight of 198.21 g/mol. Its IUPAC name is N-diazo-6-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-diazo-6-methylpyridine-2-sulfonamide
PubChem CID119097894
Molecular FormulaC6H6N4O2S
Molecular Weight198.21 g/mol
Exact Mass198.02
IUPAC NameN-diazo-6-methylpyridine-2-sulfonamide
SMILESCc1cccc(S(=O)(=O)N=[N+]=[N-])n1
InChIInChI=1S/C6H6N4O2S/c1-5-3-2-4-6(8-5)13(11,12)10-9-7/h2-4H,1H3
InChIKeyCNHWLKVLHAQYDO-UHFFFAOYSA-N
XLogP1.39
TPSA95.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of N-diazo-6-methylpyridine-2-sulfonamide?
The IUPAC name of N-diazo-6-methylpyridine-2-sulfonamide (CID 119097894) is N-diazo-6-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-diazo-6-methylpyridine-2-sulfonamide?
The canonical SMILES for N-diazo-6-methylpyridine-2-sulfonamide is Cc1cccc(S(=O)(=O)N=[N+]=[N-])n1.
What is the InChIKey of N-diazo-6-methylpyridine-2-sulfonamide?
The InChIKey is CNHWLKVLHAQYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S/c1-5-3-2-4-6(8-5)13(11,12)10-9-7/h2-4H,1H3.
What are the key properties of N-diazo-6-methylpyridine-2-sulfonamide?
N-diazo-6-methylpyridine-2-sulfonamide has a molecular weight of 198.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-6-methylpyridine-2-sulfonamide is sourced from PubChem (CID 119097894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).