2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone

C26H20O6S2 — CID 1116105

IUPAC2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone
SMILESO=C(CS(=O)(=O)c1cccc2c(S(=O)(=O)CC(=O)c3ccccc3)cccc12)c1ccccc1
InChIInChI=1S/C26H20O6S2/c27-23(19-9-3-1-4-10-19)17-33(29,30)25-15-7-14-22-21(25)13-8-16-26(22)34(31,32)18-24(28)20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyVJMDSSAVZSQDTH-UHFFFAOYSA-N
MW492.57 g/mol
LogP4.15
Rot. Bonds8

About 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone

2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone (PubChem CID 1116105) has the molecular formula C26H20O6S2 and a molecular weight of 492.57 g/mol. Its IUPAC name is 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone.

Molecular Properties

Compound Name2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone
PubChem CID1116105
Molecular FormulaC26H20O6S2
Molecular Weight492.57 g/mol
Exact Mass492.07
IUPAC Name2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone
SMILESO=C(CS(=O)(=O)c1cccc2c(S(=O)(=O)CC(=O)c3ccccc3)cccc12)c1ccccc1
InChIInChI=1S/C26H20O6S2/c27-23(19-9-3-1-4-10-19)17-33(29,30)25-15-7-14-22-21(25)13-8-16-26(22)34(31,32)18-24(28)20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyVJMDSSAVZSQDTH-UHFFFAOYSA-N
XLogP4.15
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenyl)sulfonyl-1-phenylethanone
CID 53400632
2-[5-(carboxylatomethylsulfonyl)naphthalen-1-yl]sulfonylacetate
CID 22090072
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
2-oxo-2-phenylethanesulfonamide
CID 13398961
2-ethylsulfonyl-1-phenylethanone
CID 19033550
2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
CID 64637156
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
sodium 2-oxo-2-phenylethanesulfonate
CID 23684703
2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone
CID 64642512
2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone
CID 64642384

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone?
The IUPAC name of 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone (CID 1116105) is 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone.
What is the SMILES notation for 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone?
The canonical SMILES for 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone is O=C(CS(=O)(=O)c1cccc2c(S(=O)(=O)CC(=O)c3ccccc3)cccc12)c1ccccc1.
What is the InChIKey of 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone?
The InChIKey is VJMDSSAVZSQDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O6S2/c27-23(19-9-3-1-4-10-19)17-33(29,30)25-15-7-14-22-21(25)13-8-16-26(22)34(31,32)18-24(28)20-11-5-2-6-12-20/h1-16H,17-18H2.
What are the key properties of 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone?
2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone has a molecular weight of 492.57 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone is sourced from PubChem (CID 1116105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).