3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide

C14H11NO2S — CID 12695092

IUPAC3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)C=C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C14H11NO2S/c16-18(17)10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)18/h1-10,15H
InChIKeyNINBGMPLKBORFM-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.88
Rot. Bonds1

About 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide

3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide (PubChem CID 12695092) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide
PubChem CID12695092
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)C=C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C14H11NO2S/c16-18(17)10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)18/h1-10,15H
InChIKeyNINBGMPLKBORFM-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide (CID 12695092) is 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide is O=S1(=O)C=C(c2ccccc2)Nc2ccccc21.
What is the InChIKey of 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide?
The InChIKey is NINBGMPLKBORFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-18(17)10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)18/h1-10,15H.
What are the key properties of 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide?
3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide has a molecular weight of 257.31 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 12695092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).