2,3-bis(benzenesulfonyl)pyridine

C17H13NO4S2 — CID 140663815

IUPAC2,3-bis(benzenesulfonyl)pyridine
SMILESO=S(=O)(c1ccccc1)c1cccnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H13NO4S2/c19-23(20,14-8-3-1-4-9-14)16-12-7-13-18-17(16)24(21,22)15-10-5-2-6-11-15/h1-13H
InChIKeyLUEMKTURFOEEJB-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.75
Rot. Bonds4

About 2,3-bis(benzenesulfonyl)pyridine

2,3-bis(benzenesulfonyl)pyridine (PubChem CID 140663815) has the molecular formula C17H13NO4S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,3-bis(benzenesulfonyl)pyridine.

Molecular Properties

Compound Name2,3-bis(benzenesulfonyl)pyridine
PubChem CID140663815
Molecular FormulaC17H13NO4S2
Molecular Weight359.43 g/mol
Exact Mass359.03
IUPAC Name2,3-bis(benzenesulfonyl)pyridine
SMILESO=S(=O)(c1ccccc1)c1cccnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H13NO4S2/c19-23(20,14-8-3-1-4-9-14)16-12-7-13-18-17(16)24(21,22)15-10-5-2-6-11-15/h1-13H
InChIKeyLUEMKTURFOEEJB-UHFFFAOYSA-N
XLogP2.75
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(benzenesulfonyl)benzene
CID 19980733
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
3-(benzenesulfonyl)pyrazine-2-carboxamide
CID 12556850
2,3-bis(benzenesulfonyl)quinoxaline
CID 6612515
4-(benzenesulfonyl)quinoline
CID 170993168
3-(benzenesulfonyl)pyridine
CID 5147032
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
2-[2,5-bis(benzenesulfonyl)-4-phenylphenyl]pyridine
CID 175791079
2-(benzenesulfonyl)benzaldehyde
CID 640916
1-(benzenesulfonyl)-2-nitrosobenzene
CID 24977548
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
CID 142723873

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(benzenesulfonyl)pyridine?
The IUPAC name of 2,3-bis(benzenesulfonyl)pyridine (CID 140663815) is 2,3-bis(benzenesulfonyl)pyridine.
What is the SMILES notation for 2,3-bis(benzenesulfonyl)pyridine?
The canonical SMILES for 2,3-bis(benzenesulfonyl)pyridine is O=S(=O)(c1ccccc1)c1cccnc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2,3-bis(benzenesulfonyl)pyridine?
The InChIKey is LUEMKTURFOEEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S2/c19-23(20,14-8-3-1-4-9-14)16-12-7-13-18-17(16)24(21,22)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 2,3-bis(benzenesulfonyl)pyridine?
2,3-bis(benzenesulfonyl)pyridine has a molecular weight of 359.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(benzenesulfonyl)pyridine is sourced from PubChem (CID 140663815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).