4-benzylsulfanylpyridine-3-sulfonamide

C12H12N2O2S2 — CID 901953

IUPAC4-benzylsulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1SCc1ccccc1
InChIInChI=1S/C12H12N2O2S2/c13-18(15,16)12-8-14-7-6-11(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16)
InChIKeyFUJBJSOIYVUFSM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.02
Rot. Bonds4

About 4-benzylsulfanylpyridine-3-sulfonamide

4-benzylsulfanylpyridine-3-sulfonamide (PubChem CID 901953) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-benzylsulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-benzylsulfanylpyridine-3-sulfonamide
PubChem CID901953
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name4-benzylsulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1SCc1ccccc1
InChIInChI=1S/C12H12N2O2S2/c13-18(15,16)12-8-14-7-6-11(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16)
InChIKeyFUJBJSOIYVUFSM-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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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanylpyridine-3-sulfonamide?
The IUPAC name of 4-benzylsulfanylpyridine-3-sulfonamide (CID 901953) is 4-benzylsulfanylpyridine-3-sulfonamide.
What is the SMILES notation for 4-benzylsulfanylpyridine-3-sulfonamide?
The canonical SMILES for 4-benzylsulfanylpyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1SCc1ccccc1.
What is the InChIKey of 4-benzylsulfanylpyridine-3-sulfonamide?
The InChIKey is FUJBJSOIYVUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c13-18(15,16)12-8-14-7-6-11(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16).
What are the key properties of 4-benzylsulfanylpyridine-3-sulfonamide?
4-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 4-benzylsulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 901953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).