(6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate

C18H12F3NO4S — CID 135008769

IUPAC(6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate
SMILESO=C(Nc1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1)c1ccccc1
InChIInChI=1S/C18H12F3NO4S/c19-18(20,21)27(24,25)26-16-9-7-13-10-15(8-6-14(13)11-16)22-17(23)12-4-2-1-3-5-12/h1-11H,(H,22,23)
InChIKeyUWBAXNYOMVFYLD-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.32
Rot. Bonds4

About (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate

(6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate (PubChem CID 135008769) has the molecular formula C18H12F3NO4S and a molecular weight of 395.36 g/mol. Its IUPAC name is (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate
PubChem CID135008769
Molecular FormulaC18H12F3NO4S
Molecular Weight395.36 g/mol
Exact Mass395.04
IUPAC Name(6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate
SMILESO=C(Nc1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1)c1ccccc1
InChIInChI=1S/C18H12F3NO4S/c19-18(20,21)27(24,25)26-16-9-7-13-10-15(8-6-14(13)11-16)22-17(23)12-4-2-1-3-5-12/h1-11H,(H,22,23)
InChIKeyUWBAXNYOMVFYLD-UHFFFAOYSA-N
XLogP4.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl] trifluoromethanesulfonate
CID 11761662
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid
CID 155164298
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007

Frequently Asked Questions

What is the IUPAC name of (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate?
The IUPAC name of (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate (CID 135008769) is (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate.
What is the SMILES notation for (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate?
The canonical SMILES for (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate is O=C(Nc1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1)c1ccccc1.
What is the InChIKey of (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate?
The InChIKey is UWBAXNYOMVFYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4S/c19-18(20,21)27(24,25)26-16-9-7-13-10-15(8-6-14(13)11-16)22-17(23)12-4-2-1-3-5-12/h1-11H,(H,22,23).
What are the key properties of (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate?
(6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate has a molecular weight of 395.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate is sourced from PubChem (CID 135008769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).