(NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide

C11H5ClF9NOS — CID 138395052

IUPAC(NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
SMILESO=[S@](/N=C/c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5ClF9NOS/c12-7-3-1-6(2-4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/b22-5+/t24-/m0/s1
InChIKeyMGQRMTIVHOQHJI-WDTQFDANSA-N
MW405.67 g/mol
LogP4.85
Rot. Bonds5

About (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide

(NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide (PubChem CID 138395052) has the molecular formula C11H5ClF9NOS and a molecular weight of 405.67 g/mol. Its IUPAC name is (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
PubChem CID138395052
Molecular FormulaC11H5ClF9NOS
Molecular Weight405.67 g/mol
Exact Mass404.96
IUPAC Name(NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
SMILESO=[S@](/N=C/c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5ClF9NOS/c12-7-3-1-6(2-4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/b22-5+/t24-/m0/s1
InChIKeyMGQRMTIVHOQHJI-WDTQFDANSA-N
XLogP4.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.67
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide?
The IUPAC name of (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide (CID 138395052) is (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide.
What is the SMILES notation for (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide?
The canonical SMILES for (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide is O=[S@](/N=C/c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide?
The InChIKey is MGQRMTIVHOQHJI-WDTQFDANSA-N. The full InChI is InChI=1S/C11H5ClF9NOS/c12-7-3-1-6(2-4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/b22-5+/t24-/m0/s1.
What are the key properties of (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide?
(NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide has a molecular weight of 405.67 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide is sourced from PubChem (CID 138395052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).