4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide

C14H14N4O2S — CID 79834241

IUPAC4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESN#Cc1ccc(NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C14H14N4O2S/c15-9-12-3-4-13(10-18-12)17-8-7-11-1-5-14(6-2-11)21(16,19)20/h1-6,10,17H,7-8H2,(H2,16,19,20)
InChIKeyOZIXJHQMTNHIPV-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.26
Rot. Bonds5

About 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide

4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide (PubChem CID 79834241) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
PubChem CID79834241
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESN#Cc1ccc(NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C14H14N4O2S/c15-9-12-3-4-13(10-18-12)17-8-7-11-1-5-14(6-2-11)21(16,19)20/h1-6,10,17H,7-8H2,(H2,16,19,20)
InChIKeyOZIXJHQMTNHIPV-UHFFFAOYSA-N
XLogP1.26
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125
5-[(4-methylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 79840062
4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 113028955
5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
N-phenyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109193610
N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028945
4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109184599
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194577
5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
CID 109180864
4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 142898984
5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 79829755
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide (CID 79834241) is 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide is N#Cc1ccc(NCCc2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide?
The InChIKey is OZIXJHQMTNHIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-9-12-3-4-13(10-18-12)17-8-7-11-1-5-14(6-2-11)21(16,19)20/h1-6,10,17H,7-8H2,(H2,16,19,20).
What are the key properties of 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide?
4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 79834241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).