4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide

C13H9N5O2S — CID 107793321

IUPAC4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cnccc2N)cc1C#N
InChIInChI=1S/C13H9N5O2S/c14-6-9-1-2-11(5-10(9)7-15)18-21(19,20)13-8-17-4-3-12(13)16/h1-5,8,18H,(H2,16,17)
InChIKeyYHFTYWYYPABOTM-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.21
Rot. Bonds3

About 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide

4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide (PubChem CID 107793321) has the molecular formula C13H9N5O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide
PubChem CID107793321
Molecular FormulaC13H9N5O2S
Molecular Weight299.32 g/mol
Exact Mass299.05
IUPAC Name4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cnccc2N)cc1C#N
InChIInChI=1S/C13H9N5O2S/c14-6-9-1-2-11(5-10(9)7-15)18-21(19,20)13-8-17-4-3-12(13)16/h1-5,8,18H,(H2,16,17)
InChIKeyYHFTYWYYPABOTM-UHFFFAOYSA-N
XLogP1.21
TPSA132.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide
CID 107786922
N-(3,4-dicyanophenyl)benzenesulfonamide
CID 113220864
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
CID 107786924
N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide
CID 43604886
4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 61107705
3-amino-N-(3-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43347895
2-cyano-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856654
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 107616471
N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64917903
4-amino-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 83087907

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide?
The IUPAC name of 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide (CID 107793321) is 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2cnccc2N)cc1C#N.
What is the InChIKey of 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide?
The InChIKey is YHFTYWYYPABOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S/c14-6-9-1-2-11(5-10(9)7-15)18-21(19,20)13-8-17-4-3-12(13)16/h1-5,8,18H,(H2,16,17).
What are the key properties of 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide?
4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide has a molecular weight of 299.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107793321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).