1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine

C16H13NO3S — CID 90729789

IUPAC1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine
SMILESO=S(=O)=c1c(Cc2cccc3ccccc23)cccn1O
InChIInChI=1S/C16H13NO3S/c18-17-10-4-8-14(16(17)21(19)20)11-13-7-3-6-12-5-1-2-9-15(12)13/h1-10,18H,11H2
InChIKeyRBTRCCOZTRKGEC-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.88
Rot. Bonds2

About 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine

1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine (PubChem CID 90729789) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine.

Molecular Properties

Compound Name1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine
PubChem CID90729789
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine
SMILESO=S(=O)=c1c(Cc2cccc3ccccc23)cccn1O
InChIInChI=1S/C16H13NO3S/c18-17-10-4-8-14(16(17)21(19)20)11-13-7-3-6-12-5-1-2-9-15(12)13/h1-10,18H,11H2
InChIKeyRBTRCCOZTRKGEC-UHFFFAOYSA-N
XLogP2.88
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 66760372
CID 66760372
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol
CID 15312401
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol
CID 123107319
CID 57419547
CID 57419547
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 69182114
1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
CID 123365008
1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid
CID 62370147
azane;1-ethylnaphthalene
CID 19048185

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine?
The IUPAC name of 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine (CID 90729789) is 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine.
What is the SMILES notation for 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine?
The canonical SMILES for 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine is O=S(=O)=c1c(Cc2cccc3ccccc23)cccn1O.
What is the InChIKey of 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine?
The InChIKey is RBTRCCOZTRKGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-17-10-4-8-14(16(17)21(19)20)11-13-7-3-6-12-5-1-2-9-15(12)13/h1-10,18H,11H2.
What are the key properties of 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine?
1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine has a molecular weight of 299.35 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine is sourced from PubChem (CID 90729789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).