2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone

C19H16O4S — CID 135020170

IUPAC2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)CS(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C19H16O4S/c1-23-17-10-9-14-11-16(8-7-15(14)12-17)19(20)13-24(21,22)18-5-3-2-4-6-18/h2-12H,13H2,1H3
InChIKeyREEFDKFGTRCUED-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.51
Rot. Bonds5

About 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone

2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone (PubChem CID 135020170) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone
PubChem CID135020170
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)CS(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C19H16O4S/c1-23-17-10-9-14-11-16(8-7-15(14)12-17)19(20)13-24(21,22)18-5-3-2-4-6-18/h2-12H,13H2,1H3
InChIKeyREEFDKFGTRCUED-UHFFFAOYSA-N
XLogP3.51
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Naproxen Etemesil
CID 25170420
1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethanone
CID 16750524
3-(Benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
CID 3135155
1,3-Diarylprop-2-yn-1-one, 17c
CID 11523431
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-methoxyphenyl)methylene)-, 1,1-dioxide, (Z)-
CID 6449208
2-(Benzenesulfonylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
CID 2768907
3-(4-Methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone
CID 2884084
1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 3552700
(E)-3-(4-Methoxyphenyl)-1-(4-(methylsulfonyl)phenyl)-2-phenylprop-2-en-1-one
CID 46934099
(Z)-3-(4-Methoxyphenyl)-1-(4-(methylsulfonyl)phenyl)-2-phenylprop-2-en-1-one
CID 46934100
4-(4-(Methylsulfonyl)thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2-naphthoic acid
CID 54585842
(E)-3-[2,5-dimethoxy-4-(2-methylsulfonylphenyl)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 166633450

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone (CID 135020170) is 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone is COc1ccc2cc(C(=O)CS(=O)(=O)c3ccccc3)ccc2c1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone?
The InChIKey is REEFDKFGTRCUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S/c1-23-17-10-9-14-11-16(8-7-15(14)12-17)19(20)13-24(21,22)18-5-3-2-4-6-18/h2-12H,13H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone?
2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone has a molecular weight of 340.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(6-methoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 135020170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).