3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene

C17H16O3S — CID 164666998

IUPAC3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene
SMILESCOc1ccc(S(=O)(=O)C2=Cc3ccccc3CC2)cc1
InChIInChI=1S/C17H16O3S/c1-20-15-7-10-16(11-8-15)21(18,19)17-9-6-13-4-2-3-5-14(13)12-17/h2-5,7-8,10-12H,6,9H2,1H3
InChIKeyKDUKYRCQJFJCGM-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.46
Rot. Bonds3

About 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene

3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene (PubChem CID 164666998) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene
PubChem CID164666998
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene
SMILESCOc1ccc(S(=O)(=O)C2=Cc3ccccc3CC2)cc1
InChIInChI=1S/C17H16O3S/c1-20-15-7-10-16(11-8-15)21(18,19)17-9-6-13-4-2-3-5-14(13)12-17/h2-5,7-8,10-12H,6,9H2,1H3
InChIKeyKDUKYRCQJFJCGM-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene (CID 164666998) is 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene is COc1ccc(S(=O)(=O)C2=Cc3ccccc3CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene?
The InChIKey is KDUKYRCQJFJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c1-20-15-7-10-16(11-8-15)21(18,19)17-9-6-13-4-2-3-5-14(13)12-17/h2-5,7-8,10-12H,6,9H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene?
3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene has a molecular weight of 300.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-1,2-dihydronaphthalene is sourced from PubChem (CID 164666998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).