6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide

C12H11N3O3S — CID 115602451

IUPAC6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H11N3O3S/c1-15(9-11-3-2-6-18-11)19(16,17)12-5-4-10(7-13)14-8-12/h2-6,8H,9H2,1H3
InChIKeyBKNDTDAHDOFCSV-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.37
Rot. Bonds4

About 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide

6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide (PubChem CID 115602451) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
PubChem CID115602451
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H11N3O3S/c1-15(9-11-3-2-6-18-11)19(16,17)12-5-4-10(7-13)14-8-12/h2-6,8H,9H2,1H3
InChIKeyBKNDTDAHDOFCSV-UHFFFAOYSA-N
XLogP1.37
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide
CID 166403283
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
CID 115752573
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide (CID 115602451) is 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide is CN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is BKNDTDAHDOFCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-15(9-11-3-2-6-18-11)19(16,17)12-5-4-10(7-13)14-8-12/h2-6,8H,9H2,1H3.
What are the key properties of 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 115602451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).