N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide

C13H12N4O2S — CID 106593160

IUPACN-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccc(N)cc1)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H12N4O2S/c1-17(11-6-4-10(15)5-7-11)20(18,19)13-3-2-8-16-12(13)9-14/h2-8H,15H2,1H3
InChIKeyDBOYQOYMSAPROX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.36
Rot. Bonds3

About N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide

N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide (PubChem CID 106593160) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide
PubChem CID106593160
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccc(N)cc1)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H12N4O2S/c1-17(11-6-4-10(15)5-7-11)20(18,19)13-3-2-8-16-12(13)9-14/h2-8H,15H2,1H3
InChIKeyDBOYQOYMSAPROX-UHFFFAOYSA-N
XLogP1.36
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-cyano-N-methylpyridine-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-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 106595893
2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide
CID 106595245
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
CID 106546805
2-cyano-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 106545418
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181
methyl 3-[(2-cyano-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 106545523
2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid
CID 106593268
N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
CID 106545670

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide (CID 106593160) is N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide is CN(c1ccc(N)cc1)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide?
The InChIKey is DBOYQOYMSAPROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-17(11-6-4-10(15)5-7-11)20(18,19)13-3-2-8-16-12(13)9-14/h2-8H,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide?
N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 106593160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).