(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride

C8H5ClF3NO2S — CID 10564068

IUPAC(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride
SMILESO=S(=O)(/N=C(\Cl)c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H5ClF3NO2S/c9-7(6-4-2-1-3-5-6)13-16(14,15)8(10,11)12/h1-5H/b13-7-
InChIKeyHAXRWFQVSVHEJU-QPEQYQDCSA-N
MW271.65 g/mol
LogP2.52
Rot. Bonds2

About (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride

(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride (PubChem CID 10564068) has the molecular formula C8H5ClF3NO2S and a molecular weight of 271.65 g/mol. Its IUPAC name is (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride
PubChem CID10564068
Molecular FormulaC8H5ClF3NO2S
Molecular Weight271.65 g/mol
Exact Mass270.97
IUPAC Name(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride
SMILESO=S(=O)(/N=C(\Cl)c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H5ClF3NO2S/c9-7(6-4-2-1-3-5-6)13-16(14,15)8(10,11)12/h1-5H/b13-7-
InChIKeyHAXRWFQVSVHEJU-QPEQYQDCSA-N
XLogP2.52
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride?
The IUPAC name of (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride (CID 10564068) is (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride.
What is the SMILES notation for (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride?
The canonical SMILES for (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride is O=S(=O)(/N=C(\Cl)c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride?
The InChIKey is HAXRWFQVSVHEJU-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H5ClF3NO2S/c9-7(6-4-2-1-3-5-6)13-16(14,15)8(10,11)12/h1-5H/b13-7-.
What are the key properties of (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride?
(Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride has a molecular weight of 271.65 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 10564068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).