N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide

C19H22F4N2O3S — CID 18191926

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide
SMILESCCc1ccc(C(CNS(=O)(=O)c2c(F)c(F)c(OC)c(F)c2F)N(C)C)cc1
InChIInChI=1S/C19H22F4N2O3S/c1-5-11-6-8-12(9-7-11)13(25(2)3)10-24-29(26,27)19-16(22)14(20)18(28-4)15(21)17(19)23/h6-9,13,24H,5,10H2,1-4H3
InChIKeyOICDSMFMTARLNP-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.40
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide (PubChem CID 18191926) has the molecular formula C19H22F4N2O3S and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide
PubChem CID18191926
Molecular FormulaC19H22F4N2O3S
Molecular Weight434.46 g/mol
Exact Mass434.13
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide
SMILESCCc1ccc(C(CNS(=O)(=O)c2c(F)c(F)c(OC)c(F)c2F)N(C)C)cc1
InChIInChI=1S/C19H22F4N2O3S/c1-5-11-6-8-12(9-7-11)13(25(2)3)10-24-29(26,27)19-16(22)14(20)18(28-4)15(21)17(19)23/h6-9,13,24H,5,10H2,1-4H3
InChIKeyOICDSMFMTARLNP-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide 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

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169698
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 51169700
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112506555
3-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzene-1,3-disulfonamide
CID 55512101
ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
CID 51969738
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 94081615
5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide
CID 55353854
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110419561
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112502925
1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 45479130
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55871143

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide (CID 18191926) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide is CCc1ccc(C(CNS(=O)(=O)c2c(F)c(F)c(OC)c(F)c2F)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide?
The InChIKey is OICDSMFMTARLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N2O3S/c1-5-11-6-8-12(9-7-11)13(25(2)3)10-24-29(26,27)19-16(22)14(20)18(28-4)15(21)17(19)23/h6-9,13,24H,5,10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide has a molecular weight of 434.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 18191926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).