4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide

C12H12N2O2S2 — CID 5240104

IUPAC4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide
SMILESCc1ccc(Sc2ccncc2S(N)(=O)=O)cc1
InChIInChI=1S/C12H12N2O2S2/c1-9-2-4-10(5-3-9)17-11-6-7-14-8-12(11)18(13,15)16/h2-8H,1H3,(H2,13,15,16)
InChIKeyZSHHBFBFHTUTQG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide

4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide (PubChem CID 5240104) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide
PubChem CID5240104
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide
SMILESCc1ccc(Sc2ccncc2S(N)(=O)=O)cc1
InChIInChI=1S/C12H12N2O2S2/c1-9-2-4-10(5-3-9)17-11-6-7-14-8-12(11)18(13,15)16/h2-8H,1H3,(H2,13,15,16)
InChIKeyZSHHBFBFHTUTQG-UHFFFAOYSA-N
XLogP2.19
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide?
The IUPAC name of 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide (CID 5240104) is 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide?
The canonical SMILES for 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide is Cc1ccc(Sc2ccncc2S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide?
The InChIKey is ZSHHBFBFHTUTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-9-2-4-10(5-3-9)17-11-6-7-14-8-12(11)18(13,15)16/h2-8H,1H3,(H2,13,15,16).
What are the key properties of 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide?
4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide has a molecular weight of 280.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 5240104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).