N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine

C17H19Cl2FN2O2S — CID 112845360

IUPACN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H19Cl2FN2O2S/c1-12(13-7-4-5-8-15(13)18)22(3)25(23,24)21(2)11-14-16(19)9-6-10-17(14)20/h4-10,12H,11H2,1-3H3
InChIKeyPWHQFBQNLUZLRA-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.50
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine

N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine (PubChem CID 112845360) has the molecular formula C17H19Cl2FN2O2S and a molecular weight of 405.32 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine
PubChem CID112845360
Molecular FormulaC17H19Cl2FN2O2S
Molecular Weight405.32 g/mol
Exact Mass404.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H19Cl2FN2O2S/c1-12(13-7-4-5-8-15(13)18)22(3)25(23,24)21(2)11-14-16(19)9-6-10-17(14)20/h4-10,12H,11H2,1-3H3
InChIKeyPWHQFBQNLUZLRA-UHFFFAOYSA-N
XLogP4.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine 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

2-(2-Chloro-6-fluorobenzyl)-6-(2-fluorobenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 7245511
2-(2-Chloro-4-fluorobenzyl)-6-(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921552
2,6-Bis[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 15988210
2-Benzyl-6-[(2-chloro-4-fluorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 16022930
2-(2-Chlorobenzyl)-6-(4-fluorobenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921460
2-(2-Chloro-6-fluorobenzyl)-6-(4-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921546
Benzylamine, alpha-(o-chlorophenethyl)-N,N-diethyl-
CID 57851
Phenethylamine, N-(o-chlorobenzyl)-N,alpha-dimethyl-, hydrochloride, (+)-
CID 202808
Cambridge id 5421949
CID 782502
2-[(2-Chloro-4-fluorophenyl)methyl]-6-[(2-chlorophenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 22424144
2-(4-Chlorobenzyl)-6-(3-fluorobenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20921561
2-(3-Chlorobenzyl)-6-(4-fluorobenzyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20953898

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine (CID 112845360) is N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine is CC(c1ccccc1Cl)N(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is PWHQFBQNLUZLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2FN2O2S/c1-12(13-7-4-5-8-15(13)18)22(3)25(23,24)21(2)11-14-16(19)9-6-10-17(14)20/h4-10,12H,11H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine?
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 405.32 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 112845360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).