4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide

C14H9FN2O4S — CID 155535852

IUPAC4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)S(=O)(=O)NC2=O)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11-12(7-10)22(20,21)17-14(11)19/h1-7H,(H,16,18)(H,17,19)
InChIKeyOCOFKRDDYHXLRJ-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.51
Rot. Bonds2

About 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide

4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide (PubChem CID 155535852) has the molecular formula C14H9FN2O4S and a molecular weight of 320.30 g/mol. Its IUPAC name is 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide
PubChem CID155535852
Molecular FormulaC14H9FN2O4S
Molecular Weight320.30 g/mol
Exact Mass320.03
IUPAC Name4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)S(=O)(=O)NC2=O)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11-12(7-10)22(20,21)17-14(11)19/h1-7H,(H,16,18)(H,17,19)
InChIKeyOCOFKRDDYHXLRJ-UHFFFAOYSA-N
XLogP1.51
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide (CID 155535852) is 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide is O=C(Nc1ccc2c(c1)S(=O)(=O)NC2=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide?
The InChIKey is OCOFKRDDYHXLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11-12(7-10)22(20,21)17-14(11)19/h1-7H,(H,16,18)(H,17,19).
What are the key properties of 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide?
4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide has a molecular weight of 320.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 155535852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).