3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide

C14H14N4O2S — CID 133358707

IUPAC3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1ccc(C#N)nc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14N4O2S/c1-10(18-13-6-5-12(8-15)17-9-13)11-3-2-4-14(7-11)21(16,19)20/h2-7,9-10,18H,1H3,(H2,16,19,20)
InChIKeyQZTKKQZCZADTHP-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.77
Rot. Bonds4

About 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide

3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide (PubChem CID 133358707) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
PubChem CID133358707
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1ccc(C#N)nc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14N4O2S/c1-10(18-13-6-5-12(8-15)17-9-13)11-3-2-4-14(7-11)21(16,19)20/h2-7,9-10,18H,1H3,(H2,16,19,20)
InChIKeyQZTKKQZCZADTHP-UHFFFAOYSA-N
XLogP1.77
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(4-nitroanilino)ethyl]benzenesulfonamide
CID 78814728
3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71862589
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71978290
3-[1-(4-bromo-2-cyanoanilino)ethyl]benzenesulfonamide
CID 133407160
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide (CID 133358707) is 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide is CC(Nc1ccc(C#N)nc1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide?
The InChIKey is QZTKKQZCZADTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10(18-13-6-5-12(8-15)17-9-13)11-3-2-4-14(7-11)21(16,19)20/h2-7,9-10,18H,1H3,(H2,16,19,20).
What are the key properties of 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide?
3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133358707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).