(4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane

C7H5BrF3NOS — CID 90043818

IUPAC(4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NOS/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4,12H
InChIKeyZWHFEGBSMDHVGF-UHFFFAOYSA-N
MW288.09 g/mol
LogP3.37
Rot. Bonds1

About (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane

(4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane (PubChem CID 90043818) has the molecular formula C7H5BrF3NOS and a molecular weight of 288.09 g/mol. Its IUPAC name is (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Name(4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane
PubChem CID90043818
Molecular FormulaC7H5BrF3NOS
Molecular Weight288.09 g/mol
Exact Mass286.92
IUPAC Name(4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NOS/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4,12H
InChIKeyZWHFEGBSMDHVGF-UHFFFAOYSA-N
XLogP3.37
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane?
The IUPAC name of (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane (CID 90043818) is (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane is [H]N=S(=O)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane?
The InChIKey is ZWHFEGBSMDHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NOS/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4,12H.
What are the key properties of (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane?
(4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane has a molecular weight of 288.09 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 90043818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).