N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide

C13H16N4O2S — CID 113027696

IUPACN-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C13H16N4O2S/c1-2-20(18,19)17-13-7-6-12(10-16-13)15-9-11-5-3-4-8-14-11/h3-8,10,15H,2,9H2,1H3,(H,16,17)
InChIKeyIOYUOZIODGFGCS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.85
Rot. Bonds6

About N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide

N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide (PubChem CID 113027696) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
PubChem CID113027696
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C13H16N4O2S/c1-2-20(18,19)17-13-7-6-12(10-16-13)15-9-11-5-3-4-8-14-11/h3-8,10,15H,2,9H2,1H3,(H,16,17)
InChIKeyIOYUOZIODGFGCS-UHFFFAOYSA-N
XLogP1.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027726
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113027627
2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112982956
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012649
2-(2-methoxyphenoxy)-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027673
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012657
4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982965
2-phenoxy-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027662

Frequently Asked Questions

What is the IUPAC name of N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide (CID 113027696) is N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NCc2ccccn2)cn1.
What is the InChIKey of N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide?
The InChIKey is IOYUOZIODGFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-20(18,19)17-13-7-6-12(10-16-13)15-9-11-5-3-4-8-14-11/h3-8,10,15H,2,9H2,1H3,(H,16,17).
What are the key properties of N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide?
N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113027696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).