(S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

C12H14BrClF3NOS — CID 59843029

IUPAC(S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](c1ccc(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C12H14BrClF3NOS/c1-11(2,3)20(19)18-10(12(15,16)17)8-5-4-7(13)6-9(8)14/h4-6,10,18H,1-3H3/t10-,20+/m1/s1
InChIKeyOPJBLGGGUIRRNI-SBKAZYGRSA-N
MW392.67 g/mol
LogP4.76
Rot. Bonds3

About (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 59843029) has the molecular formula C12H14BrClF3NOS and a molecular weight of 392.67 g/mol. Its IUPAC name is (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID59843029
Molecular FormulaC12H14BrClF3NOS
Molecular Weight392.67 g/mol
Exact Mass390.96
IUPAC Name(S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](c1ccc(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C12H14BrClF3NOS/c1-11(2,3)20(19)18-10(12(15,16)17)8-5-4-7(13)6-9(8)14/h4-6,10,18H,1-3H3/t10-,20+/m1/s1
InChIKeyOPJBLGGGUIRRNI-SBKAZYGRSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
(R)-1-(4-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 155288058
(R)-N-((S)-1-(4-Bromophenyl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 86691229
N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 89713197
N-[(1R)-1-(4-bromophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
CID 134965015
N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 122554825
(R)-N-[(1S)-1-(4-bromophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
CID 56590497
(R)-N-((S)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 57691004
N-[(1S)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 67503243
N-[[(1S)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]sulfamoyl]-2-methylpropan-2-amine
CID 69233555
N-[1-(4-bromophenyl)-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
CID 76369835
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine
CID 83236350

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 59843029) is (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@H](c1ccc(Br)cc1Cl)C(F)(F)F.
What is the InChIKey of (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OPJBLGGGUIRRNI-SBKAZYGRSA-N. The full InChI is InChI=1S/C12H14BrClF3NOS/c1-11(2,3)20(19)18-10(12(15,16)17)8-5-4-7(13)6-9(8)14/h4-6,10,18H,1-3H3/t10-,20+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 392.67 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 59843029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).