N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine

C18H22ClFN2O4S — CID 112811399

IUPACN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine
SMILESCOc1ccc(OCCN(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H22ClFN2O4S/c1-21(11-12-26-15-9-7-14(25-3)8-10-15)27(23,24)22(2)13-16-17(19)5-4-6-18(16)20/h4-10H,11-13H2,1-3H3
InChIKeyNJDOBWDXBIDXOI-UHFFFAOYSA-N
MW416.90 g/mol
LogP3.18
Rot. Bonds9

About N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine

N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine (PubChem CID 112811399) has the molecular formula C18H22ClFN2O4S and a molecular weight of 416.90 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine
PubChem CID112811399
Molecular FormulaC18H22ClFN2O4S
Molecular Weight416.90 g/mol
Exact Mass416.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine
SMILESCOc1ccc(OCCN(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H22ClFN2O4S/c1-21(11-12-26-15-9-7-14(25-3)8-10-15)27(23,24)22(2)13-16-17(19)5-4-6-18(16)20/h4-10H,11-13H2,1-3H3
InChIKeyNJDOBWDXBIDXOI-UHFFFAOYSA-N
XLogP3.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.90
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide
CID 35303260
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61127332
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61050922
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(2-phenoxyethyl)piperazine-1-sulfonamide
CID 112811392
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 112845360
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
CID 107650651
N-[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]-N-methylbutan-1-amine
CID 52580356
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 112811372
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
CID 18080162
5-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61127334
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1,3-trimethylpyrazole-4-sulfonamide
CID 55731451
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323826

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine (CID 112811399) is N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine is COc1ccc(OCCN(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine?
The InChIKey is NJDOBWDXBIDXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O4S/c1-21(11-12-26-15-9-7-14(25-3)8-10-15)27(23,24)22(2)13-16-17(19)5-4-6-18(16)20/h4-10H,11-13H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine?
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine has a molecular weight of 416.90 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine is sourced from PubChem (CID 112811399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).