N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide

C13H12N4O2S — CID 103303910

IUPACN-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C13H12N4O2S/c1-15-12-7-4-8-16-13(12)20(18,19)17-11-6-3-2-5-10(11)9-14/h2-8,15,17H,1H3
InChIKeyNXHIEKUHYLSSTM-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.80
Rot. Bonds4

About N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide

N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103303910) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103303910
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C13H12N4O2S/c1-15-12-7-4-8-16-13(12)20(18,19)17-11-6-3-2-5-10(11)9-14/h2-8,15,17H,1H3
InChIKeyNXHIEKUHYLSSTM-UHFFFAOYSA-N
XLogP1.80
TPSA94.88 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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(2-cyanophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62143298
N-(3-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305047
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304016
3-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-sulfonamide
CID 103303080
N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304876
N-(2,4-difluorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304009
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-(4,6-dimethylpyrimidin-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303013
N-(5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304023
N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304236

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide (CID 103303910) is N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is NXHIEKUHYLSSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-15-12-7-4-8-16-13(12)20(18,19)17-11-6-3-2-5-10(11)9-14/h2-8,15,17H,1H3.
What are the key properties of N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide?
N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103303910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).