1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene

C32H22O4S — CID 2024830

IUPAC1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene
SMILESO=S(=O)(c1ccc(Oc2cccc3ccccc23)cc1)c1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C32H22O4S/c33-37(34,27-19-15-25(16-20-27)35-31-13-5-9-23-7-1-3-11-29(23)31)28-21-17-26(18-22-28)36-32-14-6-10-24-8-2-4-12-30(24)32/h1-22H
InChIKeyYXDVFKLDISXBSU-UHFFFAOYSA-N
MW502.59 g/mol
LogP8.41
Rot. Bonds6

About 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene

1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene (PubChem CID 2024830) has the molecular formula C32H22O4S and a molecular weight of 502.59 g/mol. Its IUPAC name is 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene.

Molecular Properties

Compound Name1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene
PubChem CID2024830
Molecular FormulaC32H22O4S
Molecular Weight502.59 g/mol
Exact Mass502.12
IUPAC Name1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene
SMILESO=S(=O)(c1ccc(Oc2cccc3ccccc23)cc1)c1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C32H22O4S/c33-37(34,27-19-15-25(16-20-27)35-31-13-5-9-23-7-1-3-11-29(23)31)28-21-17-26(18-22-28)36-32-14-6-10-24-8-2-4-12-30(24)32/h1-22H
InChIKeyYXDVFKLDISXBSU-UHFFFAOYSA-N
XLogP8.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Naphthalen-2-yloxy)-benzo[b]thiophene 1,1-dioxide
CID 950756
Naphthalen-2-yl 4-ethoxybenzenesulfonate
CID 5017326
Anthracen-9-yl 4-methoxybenzenesulfonate
CID 23729779
4-Methoxyphenyl 4-methoxy-1-naphthyl sulfone
CID 16226212
1-Methoxy-4-(4-methoxyphenyl)sulfanyl-naphthalene
CID 16226418
4-(Benzyloxy)naphthalene-1-sulfonic acid
CID 16105797
2-Naphthyl 4-methoxynaphthalenesulfonate
CID 1581607
2-[4-(Benzenesulfonyl)but-2-ynoxy]naphthalene
CID 44432694
2-[(E,3R)-4,4-bis(benzenesulfonyl)-4-fluoro-3-(6-methoxynaphthalen-2-yl)but-1-enyl]-6-methoxynaphthalene
CID 135055880
1,1'-{Sulfonylbis[(4,1-phenylene)oxy]}bis(3-ethynylbenzene)
CID 13548000
Spiro[naphtho[2,1-b]pyran-3,9'-thioxanthene]
CID 19084324
Bis-{[4-(3-allyl-4-cyanatophenoxy)]phenyl} sulfone
CID 101080739

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene?
The IUPAC name of 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene (CID 2024830) is 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene.
What is the SMILES notation for 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene?
The canonical SMILES for 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene is O=S(=O)(c1ccc(Oc2cccc3ccccc23)cc1)c1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene?
The InChIKey is YXDVFKLDISXBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O4S/c33-37(34,27-19-15-25(16-20-27)35-31-13-5-9-23-7-1-3-11-29(23)31)28-21-17-26(18-22-28)36-32-14-6-10-24-8-2-4-12-30(24)32/h1-22H.
What are the key properties of 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene?
1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene has a molecular weight of 502.59 g/mol, XLogP of 8.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-naphthalen-1-yloxyphenyl)sulfonylphenoxy]naphthalene is sourced from PubChem (CID 2024830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).