(R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide

C13H17ClFNOS — CID 89405854

IUPAC(R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@@H](N[S@](=O)C(C)(C)C)c1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFNOS/c1-5-11(16-18(17)13(2,3)4)9-7-6-8-10(14)12(9)15/h5-8,11,16H,1H2,2-4H3/t11-,18-/m1/s1
InChIKeyGFNNZSOEELARPZ-ADLMAVQZSA-N
MW289.80 g/mol
LogP3.76
Rot. Bonds4

About (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 89405854) has the molecular formula C13H17ClFNOS and a molecular weight of 289.80 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide
PubChem CID89405854
Molecular FormulaC13H17ClFNOS
Molecular Weight289.80 g/mol
Exact Mass289.07
IUPAC Name(R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@@H](N[S@](=O)C(C)(C)C)c1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFNOS/c1-5-11(16-18(17)13(2,3)4)9-7-6-8-10(14)12(9)15/h5-8,11,16H,1H2,2-4H3/t11-,18-/m1/s1
InChIKeyGFNNZSOEELARPZ-ADLMAVQZSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide (CID 89405854) is (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide is C=C[C@@H](N[S@](=O)C(C)(C)C)c1cccc(Cl)c1F.
What is the InChIKey of (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GFNNZSOEELARPZ-ADLMAVQZSA-N. The full InChI is InChI=1S/C13H17ClFNOS/c1-5-11(16-18(17)13(2,3)4)9-7-6-8-10(14)12(9)15/h5-8,11,16H,1H2,2-4H3/t11-,18-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 289.80 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(3-chloro-2-fluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89405854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).