N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide

C13H15N7O2S — CID 139023344

IUPACN-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H15N7O2S/c1-18-9-11(6-17-18)23(21,22)19(2)10-7-20(8-10)13-12(5-14)15-3-4-16-13/h3-4,6,9-10H,7-8H2,1-2H3
InChIKeyNEFZLRKROJMOFT-UHFFFAOYSA-N
MW333.38 g/mol
LogP-0.41
Rot. Bonds4

About N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide

N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 139023344) has the molecular formula C13H15N7O2S and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID139023344
Molecular FormulaC13H15N7O2S
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC NameN-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H15N7O2S/c1-18-9-11(6-17-18)23(21,22)19(2)10-7-20(8-10)13-12(5-14)15-3-4-16-13/h3-4,6,9-10H,7-8H2,1-2H3
InChIKeyNEFZLRKROJMOFT-UHFFFAOYSA-N
XLogP-0.41
TPSA108.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide (CID 139023344) is N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide is CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is NEFZLRKROJMOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2S/c1-18-9-11(6-17-18)23(21,22)19(2)10-7-20(8-10)13-12(5-14)15-3-4-16-13/h3-4,6,9-10H,7-8H2,1-2H3.
What are the key properties of N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 333.38 g/mol, XLogP of -0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 139023344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).