N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide

C15H16N4O2S — CID 86814249

IUPACN-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide
SMILESN#Cc1cccc(NCCS(=O)(=O)NCc2ccccc2)n1
InChIInChI=1S/C15H16N4O2S/c16-11-14-7-4-8-15(19-14)17-9-10-22(20,21)18-12-13-5-2-1-3-6-13/h1-8,18H,9-10,12H2,(H,17,19)
InChIKeyKOQOSTORQPYOJR-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.48
Rot. Bonds7

About N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide

N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide (PubChem CID 86814249) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide
PubChem CID86814249
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide
SMILESN#Cc1cccc(NCCS(=O)(=O)NCc2ccccc2)n1
InChIInChI=1S/C15H16N4O2S/c16-11-14-7-4-8-15(19-14)17-9-10-22(20,21)18-12-13-5-2-1-3-6-13/h1-8,18H,9-10,12H2,(H,17,19)
InChIKeyKOQOSTORQPYOJR-UHFFFAOYSA-N
XLogP1.48
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-benzylsulfonylpropylamino)pyridine-2-carbonitrile
CID 133392124
4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540
6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile
CID 133392835
(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723677
5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099512
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile
CID 133412520
6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 167888568
N-benzyl-4-chlorobutane-1-sulfonamide
CID 116814854
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide?
The IUPAC name of N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide (CID 86814249) is N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide.
What is the SMILES notation for N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide?
The canonical SMILES for N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide is N#Cc1cccc(NCCS(=O)(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide?
The InChIKey is KOQOSTORQPYOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-11-14-7-4-8-15(19-14)17-9-10-22(20,21)18-12-13-5-2-1-3-6-13/h1-8,18H,9-10,12H2,(H,17,19).
What are the key properties of N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide?
N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide is sourced from PubChem (CID 86814249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).