N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide

C14H10N2O4S — CID 155528332

IUPACN-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
InChIInChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
InChIKeyDOQSCHLSVSXYAQ-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.37
Rot. Bonds2

About N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide

N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide (PubChem CID 155528332) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide
PubChem CID155528332
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC NameN-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
InChIInChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
InChIKeyDOQSCHLSVSXYAQ-UHFFFAOYSA-N
XLogP1.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide?
The IUPAC name of N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide (CID 155528332) is N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide.
What is the SMILES notation for N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide?
The canonical SMILES for N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide is O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1.
What is the InChIKey of N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide?
The InChIKey is DOQSCHLSVSXYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18).
What are the key properties of N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide?
N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide has a molecular weight of 302.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,3-trioxo-1,2-benzothiazol-4-yl)benzamide is sourced from PubChem (CID 155528332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).