9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol

C19H18O3S — CID 10449069

IUPAC9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol
SMILESO=S(=O)(CC#CCCCC#CCO)c1ccc2ccccc2c1
InChIInChI=1S/C19H18O3S/c20-14-8-4-2-1-3-5-9-15-23(21,22)19-13-12-17-10-6-7-11-18(17)16-19/h6-7,10-13,16,20H,1-3,14-15H2
InChIKeyJKUKKUKNJIRNAH-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.78
Rot. Bonds4

About 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol

9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol (PubChem CID 10449069) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol.

Molecular Properties

Compound Name9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol
PubChem CID10449069
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol
SMILESO=S(=O)(CC#CCCCC#CCO)c1ccc2ccccc2c1
InChIInChI=1S/C19H18O3S/c20-14-8-4-2-1-3-5-9-15-23(21,22)19-13-12-17-10-6-7-11-18(17)16-19/h6-7,10-13,16,20H,1-3,14-15H2
InChIKeyJKUKKUKNJIRNAH-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol?
The IUPAC name of 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol (CID 10449069) is 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol.
What is the SMILES notation for 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol?
The canonical SMILES for 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol is O=S(=O)(CC#CCCCC#CCO)c1ccc2ccccc2c1.
What is the InChIKey of 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol?
The InChIKey is JKUKKUKNJIRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3S/c20-14-8-4-2-1-3-5-9-15-23(21,22)19-13-12-17-10-6-7-11-18(17)16-19/h6-7,10-13,16,20H,1-3,14-15H2.
What are the key properties of 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol?
9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol has a molecular weight of 326.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-ylsulfonylnona-2,7-diyn-1-ol is sourced from PubChem (CID 10449069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).