6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide

C11H9ClN2O2S2 — CID 13323504

IUPAC6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)nc1
InChIInChI=1S/C11H9ClN2O2S2/c12-8-1-3-9(4-2-8)17-11-6-5-10(7-14-11)18(13,15)16/h1-7H,(H2,13,15,16)
InChIKeySTUNXVCTMVIOEJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.53
Rot. Bonds3

About 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide

6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide (PubChem CID 13323504) has the molecular formula C11H9ClN2O2S2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide
PubChem CID13323504
Molecular FormulaC11H9ClN2O2S2
Molecular Weight300.79 g/mol
Exact Mass299.98
IUPAC Name6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)nc1
InChIInChI=1S/C11H9ClN2O2S2/c12-8-1-3-9(4-2-8)17-11-6-5-10(7-14-11)18(13,15)16/h1-7H,(H2,13,15,16)
InChIKeySTUNXVCTMVIOEJ-UHFFFAOYSA-N
XLogP2.53
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide (CID 13323504) is 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide is NS(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide?
The InChIKey is STUNXVCTMVIOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S2/c12-8-1-3-9(4-2-8)17-11-6-5-10(7-14-11)18(13,15)16/h1-7H,(H2,13,15,16).
What are the key properties of 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide?
6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide has a molecular weight of 300.79 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 13323504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).