N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide

C13H14BrF2NOS — CID 71080916

IUPACN-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide
SMILESCC(C)S(=O)N=C1CCC(F)(F)c2ccc(Br)cc21
InChIInChI=1S/C13H14BrF2NOS/c1-8(2)19(18)17-12-5-6-13(15,16)11-4-3-9(14)7-10(11)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIALVAFLPVMZPHX-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.20
Rot. Bonds2

About N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide

N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide (PubChem CID 71080916) has the molecular formula C13H14BrF2NOS and a molecular weight of 350.23 g/mol. Its IUPAC name is N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide.

Molecular Properties

Compound NameN-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide
PubChem CID71080916
Molecular FormulaC13H14BrF2NOS
Molecular Weight350.23 g/mol
Exact Mass348.99
IUPAC NameN-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide
SMILESCC(C)S(=O)N=C1CCC(F)(F)c2ccc(Br)cc21
InChIInChI=1S/C13H14BrF2NOS/c1-8(2)19(18)17-12-5-6-13(15,16)11-4-3-9(14)7-10(11)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIALVAFLPVMZPHX-UHFFFAOYSA-N
XLogP4.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-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-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide?
The IUPAC name of N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide (CID 71080916) is N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide.
What is the SMILES notation for N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide?
The canonical SMILES for N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide is CC(C)S(=O)N=C1CCC(F)(F)c2ccc(Br)cc21.
What is the InChIKey of N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide?
The InChIKey is IALVAFLPVMZPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2NOS/c1-8(2)19(18)17-12-5-6-13(15,16)11-4-3-9(14)7-10(11)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide?
N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide has a molecular weight of 350.23 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)propane-2-sulfinamide is sourced from PubChem (CID 71080916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).