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

C12H15ClF3NOS — CID 134920343

IUPACN-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C12H15ClF3NOS/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?/m0/s1
InChIKeyHMGGKRPRAWUGHN-IHBJSSOOSA-N
MW313.77 g/mol
LogP4.00
Rot. Bonds3

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

N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134920343) has the molecular formula C12H15ClF3NOS and a molecular weight of 313.77 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID134920343
Molecular FormulaC12H15ClF3NOS
Molecular Weight313.77 g/mol
Exact Mass313.05
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C12H15ClF3NOS/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?/m0/s1
InChIKeyHMGGKRPRAWUGHN-IHBJSSOOSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 134920343) is N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HMGGKRPRAWUGHN-IHBJSSOOSA-N. The full InChI is InChI=1S/C12H15ClF3NOS/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?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 313.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134920343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).