2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide

C12H12N2O5S2 — CID 115928497

IUPAC2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccc(Oc2ncccc2S(N)(=O)=O)cc1
InChIInChI=1S/C12H12N2O5S2/c1-20(15,16)10-6-4-9(5-7-10)19-12-11(21(13,17)18)3-2-8-14-12/h2-8H,1H3,(H2,13,17,18)
InChIKeyYFKPBAYCDDMXDL-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.92
Rot. Bonds4

About 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide

2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide (PubChem CID 115928497) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide
PubChem CID115928497
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide
SMILESCS(=O)(=O)c1ccc(Oc2ncccc2S(N)(=O)=O)cc1
InChIInChI=1S/C12H12N2O5S2/c1-20(15,16)10-6-4-9(5-7-10)19-12-11(21(13,17)18)3-2-8-14-12/h2-8H,1H3,(H2,13,17,18)
InChIKeyYFKPBAYCDDMXDL-UHFFFAOYSA-N
XLogP0.92
TPSA116.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572912
[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 43806809
2-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112573012
[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
CID 114599487
2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
CID 115928484
2-(3-bromo-4-fluorophenoxy)pyridine-3-sulfonamide
CID 112573154
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
4-[(3-methylsulfonyl-2-pyridinyl)oxy]benzoic acid
CID 114599458
2-(4-methylsulfonylanilino)pyridine-3-sulfonamide
CID 53151392
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-sulfonamide
CID 112573090
2-(2,5-dimethylphenoxy)pyridine-3-sulfonamide
CID 112572887

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide?
The IUPAC name of 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide (CID 115928497) is 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide?
The canonical SMILES for 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide is CS(=O)(=O)c1ccc(Oc2ncccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide?
The InChIKey is YFKPBAYCDDMXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c1-20(15,16)10-6-4-9(5-7-10)19-12-11(21(13,17)18)3-2-8-14-12/h2-8H,1H3,(H2,13,17,18).
What are the key properties of 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide?
2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide has a molecular weight of 328.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 115928497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).