N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H19Cl2F3N2O4S — CID 164862008

IUPACN-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC(CN1CCOCC1)c1ccc(Cl)c(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19Cl2F3N2O4S/c20-16-6-1-13(11-17(16)21)18(12-26-7-9-29-10-8-26)25-31(27,28)15-4-2-14(3-5-15)30-19(22,23)24/h1-6,11,18,25H,7-10,12H2
InChIKeyLAXLXPHQMZNDOC-UHFFFAOYSA-N
MW499.34 g/mol
LogP4.24
Rot. Bonds7

About N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164862008) has the molecular formula C19H19Cl2F3N2O4S and a molecular weight of 499.34 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164862008
Molecular FormulaC19H19Cl2F3N2O4S
Molecular Weight499.34 g/mol
Exact Mass498.04
IUPAC NameN-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC(CN1CCOCC1)c1ccc(Cl)c(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19Cl2F3N2O4S/c20-16-6-1-13(11-17(16)21)18(12-26-7-9-29-10-8-26)25-31(27,28)15-4-2-14(3-5-15)30-19(22,23)24/h1-6,11,18,25H,7-10,12H2
InChIKeyLAXLXPHQMZNDOC-UHFFFAOYSA-N
XLogP4.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide 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

5-(3,4-Dichlorophenyl)-9-(4-methoxyphenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 44526231
1-[2-(4-Chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-[4-(difluoromethoxy)phenyl]sulfonylpiperazine
CID 46099213
1-[2-(4-Chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 132462235
N-[2-(4-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275768
N-[2-(4-chlorophenyl)-1-(2,4-dichlorocyclohexa-2,4-dien-1-yl)piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 89343734
2-chloro-N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861798
N-[(1S)-1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861812
Tert-butyl 4-[2-(4-chlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]piperazine-1-carboxylate
CID 164861818
2-chloro-N-[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861819
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861822
N-[(1R)-1-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylamino]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861831
N-[(1R)-1-(3,4-dichlorophenyl)-2-(methylamino)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861851

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164862008) is N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC(CN1CCOCC1)c1ccc(Cl)c(Cl)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LAXLXPHQMZNDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F3N2O4S/c20-16-6-1-13(11-17(16)21)18(12-26-7-9-29-10-8-26)25-31(27,28)15-4-2-14(3-5-15)30-19(22,23)24/h1-6,11,18,25H,7-10,12H2.
What are the key properties of N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 499.34 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164862008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).