6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide

C11H11N5O2S — CID 114613874

IUPAC6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H11N5O2S/c1-16(8-11-13-4-5-14-11)19(17,18)10-3-2-9(6-12)15-7-10/h2-5,7H,8H2,1H3,(H,13,14)
InChIKeyAYGIAJMJGBLMPA-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.50
Rot. Bonds4

About 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide

6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide (PubChem CID 114613874) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
PubChem CID114613874
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H11N5O2S/c1-16(8-11-13-4-5-14-11)19(17,18)10-3-2-9(6-12)15-7-10/h2-5,7H,8H2,1H3,(H,13,14)
InChIKeyAYGIAJMJGBLMPA-UHFFFAOYSA-N
XLogP0.50
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64519588
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
4-(1-aminoethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516922
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide
CID 166403283
4-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64517941
5-chloro-2-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516881

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide (CID 114613874) is 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is AYGIAJMJGBLMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-16(8-11-13-4-5-14-11)19(17,18)10-3-2-9(6-12)15-7-10/h2-5,7H,8H2,1H3,(H,13,14).
What are the key properties of 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 114613874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).