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

C14H14N4O2S — CID 114613901

IUPAC6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C14H14N4O2S/c1-18(2)13-5-3-4-11(8-13)17-21(19,20)14-7-6-12(9-15)16-10-14/h3-8,10,17H,1-2H3
InChIKeyXLGUNYFYZVCFFU-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.82
Rot. Bonds4

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

6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide (PubChem CID 114613901) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
PubChem CID114613901
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C14H14N4O2S/c1-18(2)13-5-3-4-11(8-13)17-21(19,20)14-7-6-12(9-15)16-10-14/h3-8,10,17H,1-2H3
InChIKeyXLGUNYFYZVCFFU-UHFFFAOYSA-N
XLogP1.82
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 115375852
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
CID 114614834
3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
CID 115602113
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
CID 115378257
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-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 115602183
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 113229615

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide (CID 114613901) is 6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide is CN(C)c1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1.
What is the InChIKey of 6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide?
The InChIKey is XLGUNYFYZVCFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-18(2)13-5-3-4-11(8-13)17-21(19,20)14-7-6-12(9-15)16-10-14/h3-8,10,17H,1-2H3.
What are the key properties of 6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide?
6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114613901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).