4-(cyanomethylsulfanyl)pyridine-3-sulfonamide

C7H7N3O2S2 — CID 46703932

IUPAC4-(cyanomethylsulfanyl)pyridine-3-sulfonamide
SMILESN#CCSc1ccncc1S(N)(=O)=O
InChIInChI=1S/C7H7N3O2S2/c8-2-4-13-6-1-3-10-5-7(6)14(9,11)12/h1,3,5H,4H2,(H2,9,11,12)
InChIKeyJOIYJNZMYUXKRS-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.34
Rot. Bonds3

About 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide

4-(cyanomethylsulfanyl)pyridine-3-sulfonamide (PubChem CID 46703932) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(cyanomethylsulfanyl)pyridine-3-sulfonamide
PubChem CID46703932
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC Name4-(cyanomethylsulfanyl)pyridine-3-sulfonamide
SMILESN#CCSc1ccncc1S(N)(=O)=O
InChIInChI=1S/C7H7N3O2S2/c8-2-4-13-6-1-3-10-5-7(6)14(9,11)12/h1,3,5H,4H2,(H2,9,11,12)
InChIKeyJOIYJNZMYUXKRS-UHFFFAOYSA-N
XLogP0.34
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
2-(Methylsulfonyl)pyridine
CID 98667
Pyridine sulfonamide
CID 12000791
Pyridine-3-sulfonamide
CID 232710
4-Methanesulfonylpyridine
CID 292487
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
4-Benzylsulfanylpyridine-3-sulfonamide
CID 901953
4,4'-Thiodi(pyridine-3-sulfonamide)
CID 45028567
4-(N-Oxide-2-pyridylthio)pyridine-3-sulfonamide
CID 46703924
4-Methylthiopyridine-3-sulfonamide
CID 46703929
4-(2-Propynylthio)pyridine-3-sulfonamide
CID 46907399
Rcc9YY7WJ6
CID 46907400

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide?
The IUPAC name of 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide (CID 46703932) is 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide is N#CCSc1ccncc1S(N)(=O)=O.
What is the InChIKey of 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide?
The InChIKey is JOIYJNZMYUXKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c8-2-4-13-6-1-3-10-5-7(6)14(9,11)12/h1,3,5H,4H2,(H2,9,11,12).
What are the key properties of 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide?
4-(cyanomethylsulfanyl)pyridine-3-sulfonamide has a molecular weight of 229.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethylsulfanyl)pyridine-3-sulfonamide is sourced from PubChem (CID 46703932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).