N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide

C18H10F2N2OS — CID 4110016

IUPACN-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1c(F)cccc1F
InChIInChI=1S/C18H10F2N2OS/c19-12-6-3-7-13(20)15(12)17(23)22-18-21-14-9-8-10-4-1-2-5-11(10)16(14)24-18/h1-9H,(H,21,22,23)
InChIKeyLQVVFOGICZXLMG-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.98
Rot. Bonds2

About N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide

N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide (PubChem CID 4110016) has the molecular formula C18H10F2N2OS and a molecular weight of 340.35 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide
PubChem CID4110016
Molecular FormulaC18H10F2N2OS
Molecular Weight340.35 g/mol
Exact Mass340.05
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1c(F)cccc1F
InChIInChI=1S/C18H10F2N2OS/c19-12-6-3-7-13(20)15(12)17(23)22-18-21-14-9-8-10-4-1-2-5-11(10)16(14)24-18/h1-9H,(H,21,22,23)
InChIKeyLQVVFOGICZXLMG-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide (CID 4110016) is N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide is O=C(Nc1nc2ccc3ccccc3c2s1)c1c(F)cccc1F.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide?
The InChIKey is LQVVFOGICZXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2OS/c19-12-6-3-7-13(20)15(12)17(23)22-18-21-14-9-8-10-4-1-2-5-11(10)16(14)24-18/h1-9H,(H,21,22,23).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide?
N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide has a molecular weight of 340.35 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-2,6-difluorobenzamide is sourced from PubChem (CID 4110016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).