1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene

C22H18O4S — CID 14147521

IUPAC1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene
SMILESCOc1ccc(S(=O)(=O)c2ccc(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C22H18O4S/c1-25-19-11-13-21(17-9-5-3-7-15(17)19)27(23,24)22-14-12-20(26-2)16-8-4-6-10-18(16)22/h3-14H,1-2H3
InChIKeyGQHUESOVHZEDSI-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.84
Rot. Bonds4

About 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene

1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene (PubChem CID 14147521) has the molecular formula C22H18O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene
PubChem CID14147521
Molecular FormulaC22H18O4S
Molecular Weight378.45 g/mol
Exact Mass378.09
IUPAC Name1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene
SMILESCOc1ccc(S(=O)(=O)c2ccc(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C22H18O4S/c1-25-19-11-13-21(17-9-5-3-7-15(17)19)27(23,24)22-14-12-20(26-2)16-8-4-6-10-18(16)22/h3-14H,1-2H3
InChIKeyGQHUESOVHZEDSI-UHFFFAOYSA-N
XLogP4.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene?
The IUPAC name of 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene (CID 14147521) is 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene.
What is the SMILES notation for 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene?
The canonical SMILES for 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene is COc1ccc(S(=O)(=O)c2ccc(OC)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene?
The InChIKey is GQHUESOVHZEDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4S/c1-25-19-11-13-21(17-9-5-3-7-15(17)19)27(23,24)22-14-12-20(26-2)16-8-4-6-10-18(16)22/h3-14H,1-2H3.
What are the key properties of 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene?
1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene has a molecular weight of 378.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene is sourced from PubChem (CID 14147521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).