N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine

C19H23ClFNO2S — CID 166188270

IUPACN-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCN(C)C(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClFNO2S/c1-14(2)25(23,24)13-12-22(3)19(15-4-8-17(20)9-5-15)16-6-10-18(21)11-7-16/h4-11,14,19H,12-13H2,1-3H3
InChIKeyNMHJTLJVAZRIGN-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.32
Rot. Bonds7

About N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine

N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine (PubChem CID 166188270) has the molecular formula C19H23ClFNO2S and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine
PubChem CID166188270
Molecular FormulaC19H23ClFNO2S
Molecular Weight383.92 g/mol
Exact Mass383.11
IUPAC NameN-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCN(C)C(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClFNO2S/c1-14(2)25(23,24)13-12-22(3)19(15-4-8-17(20)9-5-15)16-6-10-18(21)11-7-16/h4-11,14,19H,12-13H2,1-3H3
InChIKeyNMHJTLJVAZRIGN-UHFFFAOYSA-N
XLogP4.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-chloro-2-(chloromethyl)-4-propan-2-ylsulfonylbutan-2-yl]-4-fluorobenzene
CID 106734867
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol
CID 62682556
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520
2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730148
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 16609246
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62984219
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133260963
2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol
CID 69294035
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 35391042

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine (CID 166188270) is N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine is CC(C)S(=O)(=O)CCN(C)C(c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine?
The InChIKey is NMHJTLJVAZRIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO2S/c1-14(2)25(23,24)13-12-22(3)19(15-4-8-17(20)9-5-15)16-6-10-18(21)11-7-16/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine?
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine has a molecular weight of 383.92 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine is sourced from PubChem (CID 166188270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).