N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide

C14H9FN2O2S — CID 71659621

IUPACN-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)n1sc2ccccc2c1=O
InChIInChI=1S/C14H9FN2O2S/c15-9-4-3-5-10(8-9)16-14(19)17-13(18)11-6-1-2-7-12(11)20-17/h1-8H,(H,16,19)
InChIKeyUCFCXYRVLKAWBM-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.28
Rot. Bonds1

About N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide

N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide (PubChem CID 71659621) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide
PubChem CID71659621
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC NameN-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)n1sc2ccccc2c1=O
InChIInChI=1S/C14H9FN2O2S/c15-9-4-3-5-10(8-9)16-14(19)17-13(18)11-6-1-2-7-12(11)20-17/h1-8H,(H,16,19)
InChIKeyUCFCXYRVLKAWBM-UHFFFAOYSA-N
XLogP3.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide (CID 71659621) is N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide is O=C(Nc1cccc(F)c1)n1sc2ccccc2c1=O.
What is the InChIKey of N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide?
The InChIKey is UCFCXYRVLKAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-9-4-3-5-10(8-9)16-14(19)17-13(18)11-6-1-2-7-12(11)20-17/h1-8H,(H,16,19).
What are the key properties of N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide?
N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide is sourced from PubChem (CID 71659621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).