(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane

C7H5ClF3NOS — CID 15587414

IUPAC(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane
SMILES[H]N=S(=O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C7H5ClF3NOS/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4,12H
InChIKeyLIHKYFHVIXSCIA-UHFFFAOYSA-N
MW243.64 g/mol
LogP3.27
Rot. Bonds1

About (4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane

(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane (PubChem CID 15587414) has the molecular formula C7H5ClF3NOS and a molecular weight of 243.64 g/mol. Its IUPAC name is (4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane.

Molecular Properties

Compound Name(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane
PubChem CID15587414
Molecular FormulaC7H5ClF3NOS
Molecular Weight243.64 g/mol
Exact Mass242.97
IUPAC Name(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane
SMILES[H]N=S(=O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C7H5ClF3NOS/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4,12H
InChIKeyLIHKYFHVIXSCIA-UHFFFAOYSA-N
XLogP3.27
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-chlorobenzenesulfonic acid;hydrazine
CID 157127100
(4-chlorophenyl) trifluoromethanesulfonate
CID 581424
1,4-dichlorobenzene;sulfurochloridic acid
CID 19857624
N',N'-bis(trifluoromethyl)propane-1,3-diamine;4-chlorobenzenesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane?
The IUPAC name of (4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane (CID 15587414) is (4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane.
What is the SMILES notation for (4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane?
The canonical SMILES for (4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane is [H]N=S(=O)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of (4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane?
The InChIKey is LIHKYFHVIXSCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NOS/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-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane?
(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane has a molecular weight of 243.64 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane is sourced from PubChem (CID 15587414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).