3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide

C13H16N4O2S — CID 103304843

IUPAC3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ncccc2N)cc1
InChIInChI=1S/C13H16N4O2S/c1-17(2)11-7-5-10(6-8-11)16-20(18,19)13-12(14)4-3-9-15-13/h3-9,16H,14H2,1-2H3
InChIKeyVOKBHMUGLGXYNG-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.53
Rot. Bonds4

About 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide

3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide (PubChem CID 103304843) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide
PubChem CID103304843
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2ncccc2N)cc1
InChIInChI=1S/C13H16N4O2S/c1-17(2)11-7-5-10(6-8-11)16-20(18,19)13-12(14)4-3-9-15-13/h3-9,16H,14H2,1-2H3
InChIKeyVOKBHMUGLGXYNG-UHFFFAOYSA-N
XLogP1.53
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-phenylpyridine-2-sulfonamide
CID 15358385
3-amino-N-(3,4-dimethylphenyl)pyridine-2-sulfonamide
CID 103303574
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-sulfonamide
CID 103304997
3-amino-N-(3-chloro-4-methylphenyl)pyridine-2-sulfonamide
CID 103303099
3-amino-N-(6-ethoxy-3-pyridinyl)pyridine-2-sulfonamide
CID 103306573
3-amino-N-(2,6-difluorophenyl)pyridine-2-sulfonamide
CID 103304250
3-amino-N-(3-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303464
3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431
3-amino-N-propan-2-ylpyridine-2-sulfonamide
CID 103303655
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-2-sulfonamide
CID 103307784
3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 103305618
3-amino-N-(5-bromo-2-methylphenyl)pyridine-2-sulfonamide
CID 103304878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide (CID 103304843) is 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide is CN(C)c1ccc(NS(=O)(=O)c2ncccc2N)cc1.
What is the InChIKey of 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide?
The InChIKey is VOKBHMUGLGXYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17(2)11-7-5-10(6-8-11)16-20(18,19)13-12(14)4-3-9-15-13/h3-9,16H,14H2,1-2H3.
What are the key properties of 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide?
3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylamino)phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103304843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).