N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide

C13H19Cl3N2O2S — CID 63861056

IUPACN-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H19Cl3N2O2S/c1-8(9-5-6-10(14)12(16)11(9)15)17-7-13(2,3)18-21(4,19)20/h5-6,8,17-18H,7H2,1-4H3
InChIKeySQWAXCNPMBQWRF-UHFFFAOYSA-N
MW373.73 g/mol
LogP3.63
Rot. Bonds6

About N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide (PubChem CID 63861056) has the molecular formula C13H19Cl3N2O2S and a molecular weight of 373.73 g/mol. Its IUPAC name is N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide
PubChem CID63861056
Molecular FormulaC13H19Cl3N2O2S
Molecular Weight373.73 g/mol
Exact Mass372.02
IUPAC NameN-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H19Cl3N2O2S/c1-8(9-5-6-10(14)12(16)11(9)15)17-7-13(2,3)18-21(4,19)20/h5-6,8,17-18H,7H2,1-4H3
InChIKeySQWAXCNPMBQWRF-UHFFFAOYSA-N
XLogP3.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide 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-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902046
2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine
CID 113450013
N-[1-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902045
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656
N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860315
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79557984
N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 65197434
N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858734
4-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]pentan-1-amine
CID 63452553
tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 107250064
N-[(4-ethylphenyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106899409

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide (CID 63861056) is N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide is CC(NCC(C)(C)NS(C)(=O)=O)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide?
The InChIKey is SQWAXCNPMBQWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl3N2O2S/c1-8(9-5-6-10(14)12(16)11(9)15)17-7-13(2,3)18-21(4,19)20/h5-6,8,17-18H,7H2,1-4H3.
What are the key properties of N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide has a molecular weight of 373.73 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63861056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).