naphthalen-2-ylsulfonylmethanol

C11H10O3S — CID 581497

IUPACnaphthalen-2-ylsulfonylmethanol
SMILESO=S(=O)(CO)c1ccc2ccccc2c1
InChIInChI=1S/C11H10O3S/c12-8-15(13,14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2
InChIKeyTYLBWPNXRKPQFB-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.56
Rot. Bonds2

About naphthalen-2-ylsulfonylmethanol

naphthalen-2-ylsulfonylmethanol (PubChem CID 581497) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is naphthalen-2-ylsulfonylmethanol.

Molecular Properties

Compound Namenaphthalen-2-ylsulfonylmethanol
PubChem CID581497
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Namenaphthalen-2-ylsulfonylmethanol
SMILESO=S(=O)(CO)c1ccc2ccccc2c1
InChIInChI=1S/C11H10O3S/c12-8-15(13,14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2
InChIKeyTYLBWPNXRKPQFB-UHFFFAOYSA-N
XLogP1.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze naphthalen-2-ylsulfonylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylsulfonylmethanol?
The IUPAC name of naphthalen-2-ylsulfonylmethanol (CID 581497) is naphthalen-2-ylsulfonylmethanol.
What is the SMILES notation for naphthalen-2-ylsulfonylmethanol?
The canonical SMILES for naphthalen-2-ylsulfonylmethanol is O=S(=O)(CO)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylsulfonylmethanol?
The InChIKey is TYLBWPNXRKPQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c12-8-15(13,14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2.
What are the key properties of naphthalen-2-ylsulfonylmethanol?
naphthalen-2-ylsulfonylmethanol has a molecular weight of 222.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylsulfonylmethanol is sourced from PubChem (CID 581497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).