2-(2,2-dimethoxyethylsulfonyl)naphthalene

C14H16O4S — CID 66223688

IUPAC2-(2,2-dimethoxyethylsulfonyl)naphthalene
SMILESCOC(CS(=O)(=O)c1ccc2ccccc2c1)OC
InChIInChI=1S/C14H16O4S/c1-17-14(18-2)10-19(15,16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10H2,1-2H3
InChIKeyUPENZYOTXAZQEY-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.23
Rot. Bonds5

About 2-(2,2-dimethoxyethylsulfonyl)naphthalene

2-(2,2-dimethoxyethylsulfonyl)naphthalene (PubChem CID 66223688) has the molecular formula C14H16O4S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylsulfonyl)naphthalene.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylsulfonyl)naphthalene
PubChem CID66223688
Molecular FormulaC14H16O4S
Molecular Weight280.35 g/mol
Exact Mass280.08
IUPAC Name2-(2,2-dimethoxyethylsulfonyl)naphthalene
SMILESCOC(CS(=O)(=O)c1ccc2ccccc2c1)OC
InChIInChI=1S/C14H16O4S/c1-17-14(18-2)10-19(15,16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10H2,1-2H3
InChIKeyUPENZYOTXAZQEY-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 69383125
methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate
CID 58256208
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
CID 114243943
2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfonylnaphthalene
CID 65017357
methoxy naphthalene-2-sulfonate
CID 154112569
propan-2-yl naphthalene-2-sulfonate
CID 54505211
1-[(2S)-1-naphthalen-2-ylsulfonylpropan-2-yl]azepan-1-ium
CID 7263273
ethyl naphthalene-2-sulfonate;iron
CID 87451141
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704
(3S)-4-naphthalen-2-ylsulfonyl-3-phenylbutanoic acid
CID 124637863
1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine
CID 2955483
3-naphthalen-2-ylsulfonylpropane-1-sulfonamide
CID 56801860

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylsulfonyl)naphthalene?
The IUPAC name of 2-(2,2-dimethoxyethylsulfonyl)naphthalene (CID 66223688) is 2-(2,2-dimethoxyethylsulfonyl)naphthalene.
What is the SMILES notation for 2-(2,2-dimethoxyethylsulfonyl)naphthalene?
The canonical SMILES for 2-(2,2-dimethoxyethylsulfonyl)naphthalene is COC(CS(=O)(=O)c1ccc2ccccc2c1)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylsulfonyl)naphthalene?
The InChIKey is UPENZYOTXAZQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4S/c1-17-14(18-2)10-19(15,16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethylsulfonyl)naphthalene?
2-(2,2-dimethoxyethylsulfonyl)naphthalene has a molecular weight of 280.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylsulfonyl)naphthalene is sourced from PubChem (CID 66223688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).