(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate

C8H5F3NO3S- — CID 59117894

IUPAC(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate
SMILESO=S(=O)(/N=C(\[O-])c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO3S/c9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6/h1-5H,(H,12,13)/p-1
InChIKeyDUENTUDGKBXYRX-UHFFFAOYSA-M
MW252.19 g/mol
LogP0.64
Rot. Bonds2

About (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate

(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate (PubChem CID 59117894) has the molecular formula C8H5F3NO3S- and a molecular weight of 252.19 g/mol. Its IUPAC name is (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate.

Molecular Properties

Compound Name(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate
PubChem CID59117894
Molecular FormulaC8H5F3NO3S-
Molecular Weight252.19 g/mol
Exact Mass251.99
IUPAC Name(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate
SMILESO=S(=O)(/N=C(\[O-])c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO3S/c9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6/h1-5H,(H,12,13)/p-1
InChIKeyDUENTUDGKBXYRX-UHFFFAOYSA-M
XLogP0.64
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate?
The IUPAC name of (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate (CID 59117894) is (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate.
What is the SMILES notation for (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate?
The canonical SMILES for (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate is O=S(=O)(/N=C(\[O-])c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate?
The InChIKey is DUENTUDGKBXYRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F3NO3S/c9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6/h1-5H,(H,12,13)/p-1.
What are the key properties of (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate?
(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate has a molecular weight of 252.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidate is sourced from PubChem (CID 59117894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).