N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

C12H15BrF3NOS — CID 122554825

IUPACN-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C12H15BrF3NOS/c1-11(2,3)19(18)17-10(12(14,15)16)8-4-6-9(13)7-5-8/h4-7,10,17H,1-3H3/t10-,19?/m1/s1
InChIKeyYUXQSZNZGIKWCP-VTZGEWFSSA-N
MW358.22 g/mol
LogP4.10
Rot. Bonds3

About N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 122554825) has the molecular formula C12H15BrF3NOS and a molecular weight of 358.22 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID122554825
Molecular FormulaC12H15BrF3NOS
Molecular Weight358.22 g/mol
Exact Mass357.00
IUPAC NameN-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C12H15BrF3NOS/c1-11(2,3)19(18)17-10(12(14,15)16)8-4-6-9(13)7-5-8/h4-7,10,17H,1-3H3/t10-,19?/m1/s1
InChIKeyYUXQSZNZGIKWCP-VTZGEWFSSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 54.10
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-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 122554825) is N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@H](c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is YUXQSZNZGIKWCP-VTZGEWFSSA-N. The full InChI is InChI=1S/C12H15BrF3NOS/c1-11(2,3)19(18)17-10(12(14,15)16)8-4-6-9(13)7-5-8/h4-7,10,17H,1-3H3/t10-,19?/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 358.22 g/mol, XLogP of 4.10, 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-bromophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 122554825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).