6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

C13H12N4O2S — CID 114956180

IUPAC6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H12N4O2S/c1-10-4-5-15-7-11(10)8-17-20(18,19)13-3-2-12(6-14)16-9-13/h2-5,7,9,17H,8H2,1H3
InChIKeyKWUHPUDYNBOSSL-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.14
Rot. Bonds4

About 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 114956180) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID114956180
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H12N4O2S/c1-10-4-5-15-7-11(10)8-17-20(18,19)13-3-2-12(6-14)16-9-13/h2-5,7,9,17H,8H2,1H3
InChIKeyKWUHPUDYNBOSSL-UHFFFAOYSA-N
XLogP1.14
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 115602469
6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957445
5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114955310
4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114955251
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956174
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide
CID 114612850
4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114700456
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 115619546

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (CID 114956180) is 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is Cc1ccncc1CNS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is KWUHPUDYNBOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-10-4-5-15-7-11(10)8-17-20(18,19)13-3-2-12(6-14)16-9-13/h2-5,7,9,17H,8H2,1H3.
What are the key properties of 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114956180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).