2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide

C19H14N2O3S — CID 169007962

IUPAC2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide
SMILESO=[15N]N1C(c2ccccc2)(c2ccccc2)c2ccccc2S1(=O)=O
InChIInChI=1S/C19H14N2O3S/c22-20-21-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(21,23)24/h1-14H/i20+1
InChIKeyFEWGAGURJQKKNQ-UUZXFVOJSA-N
MW351.39 g/mol
LogP3.66
Rot. Bonds3

About 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide

2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide (PubChem CID 169007962) has the molecular formula C19H14N2O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide
PubChem CID169007962
Molecular FormulaC19H14N2O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide
SMILESO=[15N]N1C(c2ccccc2)(c2ccccc2)c2ccccc2S1(=O)=O
InChIInChI=1S/C19H14N2O3S/c22-20-21-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(21,23)24/h1-14H/i20+1
InChIKeyFEWGAGURJQKKNQ-UUZXFVOJSA-N
XLogP3.66
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide (CID 169007962) is 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide is O=[15N]N1C(c2ccccc2)(c2ccccc2)c2ccccc2S1(=O)=O.
What is the InChIKey of 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide?
The InChIKey is FEWGAGURJQKKNQ-UUZXFVOJSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-20-21-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(21,23)24/h1-14H/i20+1.
What are the key properties of 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide?
2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide has a molecular weight of 351.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15N)nitroso-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 169007962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).