1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide

C11H9N5O2S — CID 114387989

IUPAC1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H9N5O2S/c12-7-9-3-1-2-4-10(9)8-19(17,18)16-11-13-5-6-14-15-11/h1-6H,8H2,(H,13,15,16)
InChIKeyZUYNHLRKWYJQNM-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.69
Rot. Bonds4

About 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide

1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide (PubChem CID 114387989) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
PubChem CID114387989
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H9N5O2S/c12-7-9-3-1-2-4-10(9)8-19(17,18)16-11-13-5-6-14-15-11/h1-6H,8H2,(H,13,15,16)
InChIKeyZUYNHLRKWYJQNM-UHFFFAOYSA-N
XLogP0.69
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(aminomethyl)phenyl]-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387248
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66354772
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
1-(2-cyanophenyl)-N-(6-methoxy-3-pyridinyl)methanesulfonamide
CID 29037208
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 104600391
1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823577
N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 29031167

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide (CID 114387989) is 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)Nc1nccnn1.
What is the InChIKey of 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide?
The InChIKey is ZUYNHLRKWYJQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c12-7-9-3-1-2-4-10(9)8-19(17,18)16-11-13-5-6-14-15-11/h1-6H,8H2,(H,13,15,16).
What are the key properties of 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide?
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide has a molecular weight of 275.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide is sourced from PubChem (CID 114387989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).