1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol

C19H18O3S — CID 134849166

IUPAC1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18O3S/c1-19(20,14-23(21,22)18-9-3-2-4-10-18)17-12-11-15-7-5-6-8-16(15)13-17/h2-13,20H,14H2,1H3
InChIKeyHNBISGRSVFYRSH-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.52
Rot. Bonds4

About 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol

1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol (PubChem CID 134849166) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol
PubChem CID134849166
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H18O3S/c1-19(20,14-23(21,22)18-9-3-2-4-10-18)17-12-11-15-7-5-6-8-16(15)13-17/h2-13,20H,14H2,1H3
InChIKeyHNBISGRSVFYRSH-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol?
The IUPAC name of 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol (CID 134849166) is 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol is CC(O)(CS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol?
The InChIKey is HNBISGRSVFYRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3S/c1-19(20,14-23(21,22)18-9-3-2-4-10-18)17-12-11-15-7-5-6-8-16(15)13-17/h2-13,20H,14H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol?
1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol has a molecular weight of 326.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 134849166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).