5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile

C11H9ClN4O2S — CID 671534

IUPAC5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(S(=O)(=O)n2ccnc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C11H9ClN4O2S/c1-7-9(5-13)11(15-8(2)10(7)12)19(17,18)16-4-3-14-6-16/h3-4,6H,1-2H3
InChIKeyAKIDKOUWQWVMIF-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.66
Rot. Bonds2

About 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile

5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 671534) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile
PubChem CID671534
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(S(=O)(=O)n2ccnc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C11H9ClN4O2S/c1-7-9(5-13)11(15-8(2)10(7)12)19(17,18)16-4-3-14-6-16/h3-4,6H,1-2H3
InChIKeyAKIDKOUWQWVMIF-UHFFFAOYSA-N
XLogP1.66
TPSA88.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile (CID 671534) is 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile is Cc1nc(S(=O)(=O)n2ccnc2)c(C#N)c(C)c1Cl.
What is the InChIKey of 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is AKIDKOUWQWVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-7-9(5-13)11(15-8(2)10(7)12)19(17,18)16-4-3-14-6-16/h3-4,6H,1-2H3.
What are the key properties of 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile?
5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 296.74 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 671534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).