bis(pyridin-2-ylsulfonyl)methanone

C11H8N2O5S2 — CID 129080912

IUPACbis(pyridin-2-ylsulfonyl)methanone
SMILESO=C(S(=O)(=O)c1ccccn1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H8N2O5S2/c14-11(19(15,16)9-5-1-3-7-12-9)20(17,18)10-6-2-4-8-13-10/h1-8H
InChIKeyBEIDYLGSQPHYHE-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.84
Rot. Bonds2

About bis(pyridin-2-ylsulfonyl)methanone

bis(pyridin-2-ylsulfonyl)methanone (PubChem CID 129080912) has the molecular formula C11H8N2O5S2 and a molecular weight of 312.33 g/mol. Its IUPAC name is bis(pyridin-2-ylsulfonyl)methanone.

Molecular Properties

Compound Namebis(pyridin-2-ylsulfonyl)methanone
PubChem CID129080912
Molecular FormulaC11H8N2O5S2
Molecular Weight312.33 g/mol
Exact Mass311.99
IUPAC Namebis(pyridin-2-ylsulfonyl)methanone
SMILESO=C(S(=O)(=O)c1ccccn1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H8N2O5S2/c14-11(19(15,16)9-5-1-3-7-12-9)20(17,18)10-6-2-4-8-13-10/h1-8H
InChIKeyBEIDYLGSQPHYHE-UHFFFAOYSA-N
XLogP0.84
TPSA111.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

CID 175476137
CID 175476137
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
4-(pyridin-2-ylsulfonimidoyl)benzoic acid
CID 168792310
pyridin-2-ylsulfonylthiourea
CID 19808514
2-(tribromomethylsulfonyl)pyridine
CID 159318212
cyclobutane;pyridine-2-sulfonamide
CID 175429056
2-(chloromethylsulfonyl)pyridine
CID 54090294
4-amino-N-pyridin-2-ylsulfonylbenzamide
CID 153322012
2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928

Frequently Asked Questions

What is the IUPAC name of bis(pyridin-2-ylsulfonyl)methanone?
The IUPAC name of bis(pyridin-2-ylsulfonyl)methanone (CID 129080912) is bis(pyridin-2-ylsulfonyl)methanone.
What is the SMILES notation for bis(pyridin-2-ylsulfonyl)methanone?
The canonical SMILES for bis(pyridin-2-ylsulfonyl)methanone is O=C(S(=O)(=O)c1ccccn1)S(=O)(=O)c1ccccn1.
What is the InChIKey of bis(pyridin-2-ylsulfonyl)methanone?
The InChIKey is BEIDYLGSQPHYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5S2/c14-11(19(15,16)9-5-1-3-7-12-9)20(17,18)10-6-2-4-8-13-10/h1-8H.
What are the key properties of bis(pyridin-2-ylsulfonyl)methanone?
bis(pyridin-2-ylsulfonyl)methanone has a molecular weight of 312.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridin-2-ylsulfonyl)methanone is sourced from PubChem (CID 129080912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).