N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide

C14H19ClFNOS — CID 75167331

IUPACN-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C(CCCCl)c1ccc(F)cc1
InChIInChI=1S/C14H19ClFNOS/c1-14(2,3)19(18)17-13(5-4-10-15)11-6-8-12(16)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyMNNXNHKOUWWQJR-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.10
Rot. Bonds5

About N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide

N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide (PubChem CID 75167331) has the molecular formula C14H19ClFNOS and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide
PubChem CID75167331
Molecular FormulaC14H19ClFNOS
Molecular Weight303.83 g/mol
Exact Mass303.09
IUPAC NameN-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C(CCCCl)c1ccc(F)cc1
InChIInChI=1S/C14H19ClFNOS/c1-14(2,3)19(18)17-13(5-4-10-15)11-6-8-12(16)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyMNNXNHKOUWWQJR-UHFFFAOYSA-N
XLogP4.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-chloro-1-(4-fluorophenyl)butylidene]-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

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide (CID 75167331) is N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C(CCCCl)c1ccc(F)cc1.
What is the InChIKey of N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is MNNXNHKOUWWQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNOS/c1-14(2,3)19(18)17-13(5-4-10-15)11-6-8-12(16)9-7-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide?
N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 303.83 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 75167331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).