1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone

C20H18O4S — CID 135020171

IUPAC1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone
SMILESCOc1ccc2cc(C(=O)CS(=O)(=O)c3ccc(C)cc3)ccc2c1
InChIInChI=1S/C20H18O4S/c1-14-3-9-19(10-4-14)25(22,23)13-20(21)17-6-5-16-12-18(24-2)8-7-15(16)11-17/h3-12H,13H2,1-2H3
InChIKeyBPZQWLAFYUSZHO-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.81
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone

1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone (PubChem CID 135020171) has the molecular formula C20H18O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone
PubChem CID135020171
Molecular FormulaC20H18O4S
Molecular Weight354.43 g/mol
Exact Mass354.09
IUPAC Name1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone
SMILESCOc1ccc2cc(C(=O)CS(=O)(=O)c3ccc(C)cc3)ccc2c1
InChIInChI=1S/C20H18O4S/c1-14-3-9-19(10-4-14)25(22,23)13-20(21)17-6-5-16-12-18(24-2)8-7-15(16)11-17/h3-12H,13H2,1-2H3
InChIKeyBPZQWLAFYUSZHO-UHFFFAOYSA-N
XLogP3.81
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
1-(4-methoxy-3-nitrophenyl)-2-(4-methylphenyl)sulfonylethanone
CID 974038
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonylethanone
CID 2738487
2-(4-methoxyphenyl)sulfonyl-1-(3-nitrophenyl)ethanone
CID 70940154
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
1-(4-methylphenyl)-2-(4-nitrophenyl)sulfonylethanone
CID 10969213
1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
CID 64642343

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone (CID 135020171) is 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone is COc1ccc2cc(C(=O)CS(=O)(=O)c3ccc(C)cc3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone?
The InChIKey is BPZQWLAFYUSZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4S/c1-14-3-9-19(10-4-14)25(22,23)13-20(21)17-6-5-16-12-18(24-2)8-7-15(16)11-17/h3-12H,13H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone?
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone has a molecular weight of 354.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone is sourced from PubChem (CID 135020171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).