2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide

C19H14Cl2N2O3S — CID 134343009

IUPAC2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccc(Oc3cccnc3)cc2CN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2N2O3S/c20-17-4-1-5-18(21)16(17)12-23-11-13-9-14(6-7-19(13)27(23,24)25)26-15-3-2-8-22-10-15/h1-10H,11-12H2
InChIKeyHPQHJPACVWLSKR-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.89
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide

2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 134343009) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
PubChem CID134343009
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccc(Oc3cccnc3)cc2CN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2N2O3S/c20-17-4-1-5-18(21)16(17)12-23-11-13-9-14(6-7-19(13)27(23,24)25)26-15-3-2-8-22-10-15/h1-10H,11-12H2
InChIKeyHPQHJPACVWLSKR-UHFFFAOYSA-N
XLogP4.89
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide (CID 134343009) is 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide is O=S1(=O)c2ccc(Oc3cccnc3)cc2CN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is HPQHJPACVWLSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c20-17-4-1-5-18(21)16(17)12-23-11-13-9-14(6-7-19(13)27(23,24)25)26-15-3-2-8-22-10-15/h1-10H,11-12H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 421.31 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 134343009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).