N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide

C13H12N4O2S — CID 106598520

IUPACN-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ccccc1CN
InChIInChI=1S/C13H12N4O2S/c14-8-10-4-1-2-5-11(10)17-20(18,19)13-6-3-7-16-12(13)9-15/h1-7,17H,8,14H2
InChIKeyWHXRSOSMTBMOGN-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.21
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide

N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide (PubChem CID 106598520) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
PubChem CID106598520
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ccccc1CN
InChIInChI=1S/C13H12N4O2S/c14-8-10-4-1-2-5-11(10)17-20(18,19)13-6-3-7-16-12(13)9-15/h1-7,17H,8,14H2
InChIKeyWHXRSOSMTBMOGN-UHFFFAOYSA-N
XLogP1.21
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593177
N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 107697867
N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 106598121
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide (CID 106598520) is N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide?
The InChIKey is WHXRSOSMTBMOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-8-10-4-1-2-5-11(10)17-20(18,19)13-6-3-7-16-12(13)9-15/h1-7,17H,8,14H2.
What are the key properties of N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide?
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106598520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).