4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide

C14H11NO3S — CID 22092257

IUPAC4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=Cc2c(OCc3ccccn3)cccc21
InChIInChI=1S/C14H11NO3S/c16-19(17)9-7-12-13(5-3-6-14(12)19)18-10-11-4-1-2-8-15-11/h1-9H,10H2
InChIKeyRCDWKWJXVUQEFQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.42
Rot. Bonds3

About 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide

4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide (PubChem CID 22092257) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide
PubChem CID22092257
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=Cc2c(OCc3ccccn3)cccc21
InChIInChI=1S/C14H11NO3S/c16-19(17)9-7-12-13(5-3-6-14(12)19)18-10-11-4-1-2-8-15-11/h1-9H,10H2
InChIKeyRCDWKWJXVUQEFQ-UHFFFAOYSA-N
XLogP2.42
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane
CID 22091918
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
5-(pyridin-2-ylmethoxy)naphthalen-1-amine
CID 82037861
N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
pyridin-2-ylmethyl hypoiodite
CID 67567753
(3Z)-2-(2-hydroxyethyl)-1,1-dioxo-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]-1λ6,2-benzothiazin-4-one
CID 42537454
[2-(pyridin-2-ylmethoxy)phenyl]thiourea
CID 169357255
4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde
CID 132587651
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one
CID 18575800
N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984542
3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110883598

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide?
The IUPAC name of 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide (CID 22092257) is 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide is O=S1(=O)C=Cc2c(OCc3ccccn3)cccc21.
What is the InChIKey of 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide?
The InChIKey is RCDWKWJXVUQEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-19(17)9-7-12-13(5-3-6-14(12)19)18-10-11-4-1-2-8-15-11/h1-9H,10H2.
What are the key properties of 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide?
4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide has a molecular weight of 273.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 22092257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).