N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide

C20H25F3N2O3S — CID 55463875

IUPACN,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3N2O3S/c1-4-25(5-2)29(26,27)19-12-8-17(9-13-19)15(3)24-14-16-6-10-18(11-7-16)28-20(21,22)23/h6-13,15,24H,4-5,14H2,1-3H3
InChIKeyXIRQWVDSZXFYRV-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.47
Rot. Bonds9

About N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide

N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide (PubChem CID 55463875) has the molecular formula C20H25F3N2O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide
PubChem CID55463875
Molecular FormulaC20H25F3N2O3S
Molecular Weight430.49 g/mol
Exact Mass430.15
IUPAC NameN,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3N2O3S/c1-4-25(5-2)29(26,27)19-12-8-17(9-13-19)15(3)24-14-16-6-10-18(11-7-16)28-20(21,22)23/h6-13,15,24H,4-5,14H2,1-3H3
InChIKeyXIRQWVDSZXFYRV-UHFFFAOYSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 24584151
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N,N-diethyl-4-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 47009059
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
N,N-diethyl-4-[(1S)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]benzenesulfonamide
CID 39983192
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
(2S)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 120510495
N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 71107488

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide (CID 55463875) is N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide?
The InChIKey is XIRQWVDSZXFYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3S/c1-4-25(5-2)29(26,27)19-12-8-17(9-13-19)15(3)24-14-16-6-10-18(11-7-16)28-20(21,22)23/h6-13,15,24H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide?
N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide has a molecular weight of 430.49 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 55463875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).