2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol

C18H19ClO3S — CID 24876649

IUPAC2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(CCO)CCCc2ccccc21
InChIInChI=1S/C18H19ClO3S/c19-15-7-9-16(10-8-15)23(21,22)18(12-13-20)11-3-5-14-4-1-2-6-17(14)18/h1-2,4,6-10,20H,3,5,11-13H2
InChIKeyZZMFBULLBRJGJM-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.73
Rot. Bonds4

About 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol

2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol (PubChem CID 24876649) has the molecular formula C18H19ClO3S and a molecular weight of 350.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
PubChem CID24876649
Molecular FormulaC18H19ClO3S
Molecular Weight350.87 g/mol
Exact Mass350.07
IUPAC Name2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(CCO)CCCc2ccccc21
InChIInChI=1S/C18H19ClO3S/c19-15-7-9-16(10-8-15)23(21,22)18(12-13-20)11-3-5-14-4-1-2-6-17(14)18/h1-2,4,6-10,20H,3,5,11-13H2
InChIKeyZZMFBULLBRJGJM-UHFFFAOYSA-N
XLogP3.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol (CID 24876649) is 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol is O=S(=O)(c1ccc(Cl)cc1)C1(CCO)CCCc2ccccc21.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol?
The InChIKey is ZZMFBULLBRJGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3S/c19-15-7-9-16(10-8-15)23(21,22)18(12-13-20)11-3-5-14-4-1-2-6-17(14)18/h1-2,4,6-10,20H,3,5,11-13H2.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol?
2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol has a molecular weight of 350.87 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol is sourced from PubChem (CID 24876649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).