4-formyl-N,N-dimethylimidazole-1-sulfonamide

C6H9N3O3S — CID 10397966

IUPAC4-formyl-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C=O)c1
InChIInChI=1S/C6H9N3O3S/c1-8(2)13(11,12)9-3-6(4-10)7-5-9/h3-5H,1-2H3
InChIKeyBBTZETLXNQDZKF-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.65
Rot. Bonds3

About 4-formyl-N,N-dimethylimidazole-1-sulfonamide

4-formyl-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 10397966) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is 4-formyl-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name4-formyl-N,N-dimethylimidazole-1-sulfonamide
PubChem CID10397966
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name4-formyl-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C=O)c1
InChIInChI=1S/C6H9N3O3S/c1-8(2)13(11,12)9-3-6(4-10)7-5-9/h3-5H,1-2H3
InChIKeyBBTZETLXNQDZKF-UHFFFAOYSA-N
XLogP-0.65
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-formyl-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 4-formyl-N,N-dimethylimidazole-1-sulfonamide (CID 10397966) is 4-formyl-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 4-formyl-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 4-formyl-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(C=O)c1.
What is the InChIKey of 4-formyl-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is BBTZETLXNQDZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c1-8(2)13(11,12)9-3-6(4-10)7-5-9/h3-5H,1-2H3.
What are the key properties of 4-formyl-N,N-dimethylimidazole-1-sulfonamide?
4-formyl-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 203.22 g/mol, XLogP of -0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 10397966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).