2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide

C12H12N4O2S — CID 67867536

IUPAC2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2ccccc2)nc1C#N
InChIInChI=1S/C12H12N4O2S/c1-15(2)19(17,18)16-9-11(14-12(16)8-13)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKeyOOPJRSPEIZKBTO-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.08
Rot. Bonds3

About 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide

2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide (PubChem CID 67867536) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide.

Molecular Properties

Compound Name2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide
PubChem CID67867536
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(-c2ccccc2)nc1C#N
InChIInChI=1S/C12H12N4O2S/c1-15(2)19(17,18)16-9-11(14-12(16)8-13)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKeyOOPJRSPEIZKBTO-UHFFFAOYSA-N
XLogP1.08
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-Methyl-5-phenyl-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide?
The IUPAC name of 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide (CID 67867536) is 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide.
What is the SMILES notation for 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide?
The canonical SMILES for 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cc(-c2ccccc2)nc1C#N.
What is the InChIKey of 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide?
The InChIKey is OOPJRSPEIZKBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-15(2)19(17,18)16-9-11(14-12(16)8-13)10-6-4-3-5-7-10/h3-7,9H,1-2H3.
What are the key properties of 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide?
2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide is sourced from PubChem (CID 67867536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).