N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

C12H17ClFNOS — CID 134585706

IUPACN-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNOS/c1-8(15-17(16)12(2,3)4)11-9(13)6-5-7-10(11)14/h5-8,15H,1-4H3/t8-,17?/m0/s1
InChIKeyALWSLDIEZSKNNK-CLBCNEFWSA-N
MW277.79 g/mol
LogP3.59
Rot. Bonds3

About N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134585706) has the molecular formula C12H17ClFNOS and a molecular weight of 277.79 g/mol. Its IUPAC name is N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID134585706
Molecular FormulaC12H17ClFNOS
Molecular Weight277.79 g/mol
Exact Mass277.07
IUPAC NameN-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNOS/c1-8(15-17(16)12(2,3)4)11-9(13)6-5-7-10(11)14/h5-8,15H,1-4H3/t8-,17?/m0/s1
InChIKeyALWSLDIEZSKNNK-CLBCNEFWSA-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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Related Compounds

(R)-N-[1-(2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536184
(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 162452443
(S)-N-[(1S)-1-(2,6-difluorophenyl)prop-2-enyl]-2-methylpropane-2-sulfinamide
CID 90375212
(R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 87146010
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
N-[(1R)-1-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 170428484
N-[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 172524574
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpentanamide
CID 119818781
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 130273068

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 134585706) is N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@H](NS(=O)C(C)(C)C)c1c(F)cccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ALWSLDIEZSKNNK-CLBCNEFWSA-N. The full InChI is InChI=1S/C12H17ClFNOS/c1-8(15-17(16)12(2,3)4)11-9(13)6-5-7-10(11)14/h5-8,15H,1-4H3/t8-,17?/m0/s1.
What are the key properties of N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(2-chloro-6-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-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134585706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).