(R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

C12H17ClFNOS — CID 58109223

IUPAC(R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNOS/c1-8(15-17(16)12(2,3)4)9-5-6-10(13)11(14)7-9/h5-8,15H,1-4H3/t8-,17+/m0/s1
InChIKeyULQSIOFDXIORGI-WNWIJWBNSA-N
MW277.79 g/mol
LogP3.59
Rot. Bonds3

About (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 58109223) has the molecular formula C12H17ClFNOS and a molecular weight of 277.79 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID58109223
Molecular FormulaC12H17ClFNOS
Molecular Weight277.79 g/mol
Exact Mass277.07
IUPAC Name(R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNOS/c1-8(15-17(16)12(2,3)4)9-5-6-10(13)11(14)7-9/h5-8,15H,1-4H3/t8-,17+/m0/s1
InChIKeyULQSIOFDXIORGI-WNWIJWBNSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 58109223) is (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)c(F)c1.
What is the InChIKey of (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ULQSIOFDXIORGI-WNWIJWBNSA-N. The full InChI is InChI=1S/C12H17ClFNOS/c1-8(15-17(16)12(2,3)4)9-5-6-10(13)11(14)7-9/h5-8,15H,1-4H3/t8-,17+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 277.79 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 58109223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).