6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide

C18H15N3O2S — CID 166403283

IUPAC6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide
SMILESCN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C18H15N3O2S/c1-21(24(22,23)17-10-9-16(11-19)20-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12H,13H2,1H3
InChIKeyRLODUXSUKWRABL-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.93
Rot. Bonds4

About 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide

6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide (PubChem CID 166403283) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide
PubChem CID166403283
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide
SMILESCN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C18H15N3O2S/c1-21(24(22,23)17-10-9-16(11-19)20-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12H,13H2,1H3
InChIKeyRLODUXSUKWRABL-UHFFFAOYSA-N
XLogP2.93
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 78767045
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
CID 115752573
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
N-(dimethylsulfamoyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 47319808
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide (CID 166403283) is 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide is CN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is RLODUXSUKWRABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-21(24(22,23)17-10-9-16(11-19)20-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12H,13H2,1H3.
What are the key properties of 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide?
6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 166403283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).