2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine

C24H19NO4S2 — CID 11048624

IUPAC2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(Cc2ccccn2)c(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H19NO4S2/c26-30(27,21-10-3-1-4-11-21)23-15-14-19(17-20-9-7-8-16-25-20)24(18-23)31(28,29)22-12-5-2-6-13-22/h1-16,18H,17H2
InChIKeyDVBCIHZWIGAWJF-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.34
Rot. Bonds6

About 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine

2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine (PubChem CID 11048624) has the molecular formula C24H19NO4S2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine
PubChem CID11048624
Molecular FormulaC24H19NO4S2
Molecular Weight449.55 g/mol
Exact Mass449.08
IUPAC Name2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(Cc2ccccn2)c(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H19NO4S2/c26-30(27,21-10-3-1-4-11-21)23-15-14-19(17-20-9-7-8-16-25-20)24(18-23)31(28,29)22-12-5-2-6-13-22/h1-16,18H,17H2
InChIKeyDVBCIHZWIGAWJF-UHFFFAOYSA-N
XLogP4.34
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-(2-Fluoro-2-(methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10145470
8-(3-(2-(Methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10232061
8-(4''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10390387
(E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyridine
CID 21099470
2-[(E)-2-(2,4-difluorophenyl)vinyl]-5-(phenylsulfonyl)pyridine
CID 21099472
(E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
CID 44439376
(E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine
CID 44439386
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
4-(3-Methylphenyl)-5-(2-methyl-4-pyridyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
CID 10223922
8-[3-(2-Methylsulfonylphenyl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
CID 10254543

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine?
The IUPAC name of 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine (CID 11048624) is 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine is O=S(=O)(c1ccccc1)c1ccc(Cc2ccccn2)c(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine?
The InChIKey is DVBCIHZWIGAWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S2/c26-30(27,21-10-3-1-4-11-21)23-15-14-19(17-20-9-7-8-16-25-20)24(18-23)31(28,29)22-12-5-2-6-13-22/h1-16,18H,17H2.
What are the key properties of 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine?
2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine has a molecular weight of 449.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-bis(benzenesulfonyl)phenyl]methyl]pyridine is sourced from PubChem (CID 11048624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).