6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide

C14H14N4O2S — CID 114614834

IUPAC6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
SMILESCNCc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C14H14N4O2S/c1-16-9-11-3-2-4-12(7-11)18-21(19,20)14-6-5-13(8-15)17-10-14/h2-7,10,16,18H,9H2,1H3
InChIKeyICZXXGSOLCKPQY-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.47
Rot. Bonds5

About 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide

6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide (PubChem CID 114614834) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
PubChem CID114614834
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
SMILESCNCc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C14H14N4O2S/c1-16-9-11-3-2-4-12(7-11)18-21(19,20)14-6-5-13(8-15)17-10-14/h2-7,10,16,18H,9H2,1H3
InChIKeyICZXXGSOLCKPQY-UHFFFAOYSA-N
XLogP1.47
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
CID 115602113
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
N-(3-cyanophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62144164
6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 115602183
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-amino-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 62144898

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide (CID 114614834) is 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide is CNCc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1.
What is the InChIKey of 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide?
The InChIKey is ICZXXGSOLCKPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-16-9-11-3-2-4-12(7-11)18-21(19,20)14-6-5-13(8-15)17-10-14/h2-7,10,16,18H,9H2,1H3.
What are the key properties of 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide?
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114614834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).