N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide

C13H12N4O2S — CID 62144164

IUPACN-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C13H12N4O2S/c1-15-13-6-5-12(9-16-13)20(18,19)17-11-4-2-3-10(7-11)8-14/h2-7,9,17H,1H3,(H,15,16)
InChIKeyITDQWZUHEZQQKP-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.80
Rot. Bonds4

About N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide

N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62144164) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62144164
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C13H12N4O2S/c1-15-13-6-5-12(9-16-13)20(18,19)17-11-4-2-3-10(7-11)8-14/h2-7,9,17H,1H3,(H,15,16)
InChIKeyITDQWZUHEZQQKP-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

N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
N-(4-cyanophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144186
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
CID 114614834
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107578094
6-chloro-N-(3-ethynylphenyl)pyridine-3-sulfonamide
CID 24689721
N-(3-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49368704
6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 110757847

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide (CID 62144164) is N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cn1.
What is the InChIKey of N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is ITDQWZUHEZQQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-15-13-6-5-12(9-16-13)20(18,19)17-11-4-2-3-10(7-11)8-14/h2-7,9,17H,1H3,(H,15,16).
What are the key properties of N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(3-cyanophenyl)-6-(methylamino)pyridine-3-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-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62144164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).