6-benzylsulfanylpyridine-3-sulfonamide

C12H12N2O2S2 — CID 901954

IUPAC6-benzylsulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C12H12N2O2S2/c13-18(15,16)11-6-7-12(14-8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16)
InChIKeyIYTGZKDCGSOFHX-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.02
Rot. Bonds4

About 6-benzylsulfanylpyridine-3-sulfonamide

6-benzylsulfanylpyridine-3-sulfonamide (PubChem CID 901954) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-benzylsulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-benzylsulfanylpyridine-3-sulfonamide
PubChem CID901954
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name6-benzylsulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C12H12N2O2S2/c13-18(15,16)11-6-7-12(14-8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16)
InChIKeyIYTGZKDCGSOFHX-UHFFFAOYSA-N
XLogP2.02
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
2-(Benzenesulfonyl)pyridine
CID 289829
2-Benzylsulfanyl-1-oxidopyridin-1-ium
CID 501066
Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
CID 571666
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
2-[(E)-2-(2,4-difluorophenyl)vinyl]-5-(phenylsulfonyl)pyridine
CID 21099472
Pyridine, 2-(4-trifluoromethylbenzylthio)-
CID 556666
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
4-(2-(Phenylthio)ethyl)pyridine
CID 88779
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanylpyridine-3-sulfonamide?
The IUPAC name of 6-benzylsulfanylpyridine-3-sulfonamide (CID 901954) is 6-benzylsulfanylpyridine-3-sulfonamide.
What is the SMILES notation for 6-benzylsulfanylpyridine-3-sulfonamide?
The canonical SMILES for 6-benzylsulfanylpyridine-3-sulfonamide is NS(=O)(=O)c1ccc(SCc2ccccc2)nc1.
What is the InChIKey of 6-benzylsulfanylpyridine-3-sulfonamide?
The InChIKey is IYTGZKDCGSOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c13-18(15,16)11-6-7-12(14-8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16).
What are the key properties of 6-benzylsulfanylpyridine-3-sulfonamide?
6-benzylsulfanylpyridine-3-sulfonamide has a molecular weight of 280.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 901954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).