N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide

C20H23ClF3NOS — CID 59553654

IUPACN-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClF3NOS/c1-19(2,3)27(26)25-18(15-7-11-17(21)12-8-15)13-6-14-4-9-16(10-5-14)20(22,23)24/h4-5,7-12,18,25H,6,13H2,1-3H3
InChIKeyDJULTAKJTQTVOM-UHFFFAOYSA-N
MW417.92 g/mol
LogP6.08
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide

N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide (PubChem CID 59553654) has the molecular formula C20H23ClF3NOS and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide
PubChem CID59553654
Molecular FormulaC20H23ClF3NOS
Molecular Weight417.92 g/mol
Exact Mass417.11
IUPAC NameN-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClF3NOS/c1-19(2,3)27(26)25-18(15-7-11-17(21)12-8-15)13-6-14-4-9-16(10-5-14)20(22,23)24/h4-5,7-12,18,25H,6,13H2,1-3H3
InChIKeyDJULTAKJTQTVOM-UHFFFAOYSA-N
XLogP6.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.92
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-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-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide (CID 59553654) is N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is DJULTAKJTQTVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3NOS/c1-19(2,3)27(26)25-18(15-7-11-17(21)12-8-15)13-6-14-4-9-16(10-5-14)20(22,23)24/h4-5,7-12,18,25H,6,13H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide?
N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 417.92 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 59553654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).