6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide

C14H13N3O2S — CID 115602469

IUPAC6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H13N3O2S/c1-11-4-2-3-5-12(11)9-17-20(18,19)14-7-6-13(8-15)16-10-14/h2-7,10,17H,9H2,1H3
InChIKeyQQKIKEXXCIUHQV-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.74
Rot. Bonds4

About 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide

6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 115602469) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID115602469
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H13N3O2S/c1-11-4-2-3-5-12(11)9-17-20(18,19)14-7-6-13(8-15)16-10-14/h2-7,10,17H,9H2,1H3
InChIKeyQQKIKEXXCIUHQV-UHFFFAOYSA-N
XLogP1.74
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114956180
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 115619546
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide
CID 114612850
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide (CID 115602469) is 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide is Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is QQKIKEXXCIUHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-11-4-2-3-5-12(11)9-17-20(18,19)14-7-6-13(8-15)16-10-14/h2-7,10,17H,9H2,1H3.
What are the key properties of 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115602469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).