N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide

C12H17BrClNOS — CID 121362441

IUPACN-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H17BrClNOS/c1-8(15-17(16)12(2,3)4)10-7-9(14)5-6-11(10)13/h5-8,15H,1-4H3/t8-,17?/m1/s1
InChIKeyICDGCXKFPHBGQC-OEWHWVHBSA-N
MW338.70 g/mol
LogP4.22
Rot. Bonds3

About N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 121362441) has the molecular formula C12H17BrClNOS and a molecular weight of 338.70 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID121362441
Molecular FormulaC12H17BrClNOS
Molecular Weight338.70 g/mol
Exact Mass336.99
IUPAC NameN-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H17BrClNOS/c1-8(15-17(16)12(2,3)4)10-7-9(14)5-6-11(10)13/h5-8,15H,1-4H3/t8-,17?/m1/s1
InChIKeyICDGCXKFPHBGQC-OEWHWVHBSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.70
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 11565570
(R)-N-[(1R)-1-(4-bromo-2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163603996
N-[(1R)-1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 126531678
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
(R)-N-[(1S)-1-(4-bromo-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 90347558
(1R)-1-(2-bromo-5-chlorophenyl)-N-tert-butylsulfanylethanamine
CID 174962109
(R)-N-[1-(2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536184
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058
N-[1-(5-bromo-1-methyl-2-oxo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 122588655
(R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 169081085
N-[(1S)-1-(4-bromo-2-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 139530916
(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278753

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 121362441) is N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1cc(Cl)ccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ICDGCXKFPHBGQC-OEWHWVHBSA-N. The full InChI is InChI=1S/C12H17BrClNOS/c1-8(15-17(16)12(2,3)4)10-7-9(14)5-6-11(10)13/h5-8,15H,1-4H3/t8-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 338.70 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 121362441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).