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

C12H17ClFNOS — CID 66856990

IUPACN-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=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?/m1/s1
InChIKeyULQSIOFDXIORGI-OEWHWVHBSA-N
MW277.79 g/mol
LogP3.59
Rot. Bonds3

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

N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 66856990) has the molecular formula C12H17ClFNOS and a molecular weight of 277.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID66856990
Molecular FormulaC12H17ClFNOS
Molecular Weight277.79 g/mol
Exact Mass277.07
IUPAC NameN-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=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?/m1/s1
InChIKeyULQSIOFDXIORGI-OEWHWVHBSA-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 N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 66856990) is N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ULQSIOFDXIORGI-OEWHWVHBSA-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?/m1/s1.
What are the key properties of N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-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 N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 66856990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).