(R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide

C19H21F2NOS — CID 135367581

IUPAC(R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1ccccc1C(F)(F)c1cccc(C=N[S@](=O)C(C)(C)C)c1
InChIInChI=1S/C19H21F2NOS/c1-14-8-5-6-11-17(14)19(20,21)16-10-7-9-15(12-16)13-22-24(23)18(2,3)4/h5-13H,1-4H3/t24-/m1/s1
InChIKeyQERSECFHWRFBQU-XMMPIXPASA-N
MW349.45 g/mol
LogP5.02
Rot. Bonds4

About (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 135367581) has the molecular formula C19H21F2NOS and a molecular weight of 349.45 g/mol. Its IUPAC name is (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID135367581
Molecular FormulaC19H21F2NOS
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name(R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1ccccc1C(F)(F)c1cccc(C=N[S@](=O)C(C)(C)C)c1
InChIInChI=1S/C19H21F2NOS/c1-14-8-5-6-11-17(14)19(20,21)16-10-7-9-15(12-16)13-22-24(23)18(2,3)4/h5-13H,1-4H3/t24-/m1/s1
InChIKeyQERSECFHWRFBQU-XMMPIXPASA-N
XLogP5.02
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide with MolForge

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

Launch Full Analysis

Related Compounds

(NE,R)-N-[(2S)-2-(2,3-difluorophenyl)hex-5-enylidene]-2-methylpropane-2-sulfinamide
CID 89158770
(NE)-4-methyl-N-[[2-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 11823606
(E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine
CID 44622996
(NZ)-4-methyl-N-[[2-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 110518860
(NE)-2-methyl-N-[[3-(2,3,5,6-tetrafluorophenyl)phenyl]methylidene]propane-2-sulfinamide
CID 134962275
(NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide
CID 139185409
(NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide
CID 134838001
(NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide
CID 12996091
(R,E)-2-Methyl-N-(naphthalen-1-ylmethylene)propane-2-sulfinamide
CID 23657050
(NE)-N-[(2-ethenylphenyl)methylidene]-1-phenylmethanesulfonamide
CID 25258180
(NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfinamide
CID 58570514
(NE,R)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfinamide
CID 88871075

Frequently Asked Questions

What is the IUPAC name of (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide (CID 135367581) is (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide is Cc1ccccc1C(F)(F)c1cccc(C=N[S@](=O)C(C)(C)C)c1.
What is the InChIKey of (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is QERSECFHWRFBQU-XMMPIXPASA-N. The full InChI is InChI=1S/C19H21F2NOS/c1-14-8-5-6-11-17(14)19(20,21)16-10-7-9-15(12-16)13-22-24(23)18(2,3)4/h5-13H,1-4H3/t24-/m1/s1.
What are the key properties of (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 349.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[[3-[difluoro-(2-methylphenyl)methyl]phenyl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135367581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).