2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide

C19H16N2O3S — CID 134342995

IUPAC2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccc(Oc3cccnc3)cc2CN1Cc1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-25(23)19-9-8-17(24-18-7-4-10-20-12-18)11-16(19)14-21(25)13-15-5-2-1-3-6-15/h1-12H,13-14H2
InChIKeyVORBLDFOWGAZJW-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.58
Rot. Bonds4

About 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide

2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 134342995) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
PubChem CID134342995
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccc(Oc3cccnc3)cc2CN1Cc1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-25(23)19-9-8-17(24-18-7-4-10-20-12-18)11-16(19)14-21(25)13-15-5-2-1-3-6-15/h1-12H,13-14H2
InChIKeyVORBLDFOWGAZJW-UHFFFAOYSA-N
XLogP3.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
CID 134343009
methyl 4-[(1,1-dioxo-5-pyridin-3-yloxy-3H-1,2-benzothiazol-2-yl)methyl]benzoate
CID 134343163
3-(1-benzylimidazol-2-yl)oxypyridine
CID 172726556
2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
CID 46892131
2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide
CID 134342996
[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450172
2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide
CID 138742690
1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine
CID 135385042
2-(6-propan-2-yl-2-pyridin-3-yloxypyrimidin-4-yl)-3H-1,2-benzothiazole 1,1-dioxide
CID 138743160
2-benzyl-1,1-dioxo-3,5-dihydro-1λ6,2,5-benzothiadiazepin-4-one
CID 11722451
2-[1,1-dioxo-5-[(3-phenoxyphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]ethyl methanesulfonate
CID 56968148
(4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide
CID 132527658

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide (CID 134342995) is 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide is O=S1(=O)c2ccc(Oc3cccnc3)cc2CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is VORBLDFOWGAZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-25(23)19-9-8-17(24-18-7-4-10-20-12-18)11-16(19)14-21(25)13-15-5-2-1-3-6-15/h1-12H,13-14H2.
What are the key properties of 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 352.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 134342995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).