N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine

C20H25ClFN3O3S — CID 112811447

IUPACN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCN(Cc1ccccc1N1CCOCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H25ClFN3O3S/c1-23(14-16-6-3-4-9-20(16)25-10-12-28-13-11-25)29(26,27)24(2)15-17-18(21)7-5-8-19(17)22/h3-9H,10-15H2,1-2H3
InChIKeyWSXRPQQDCIORSA-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.12
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine

N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine (PubChem CID 112811447) has the molecular formula C20H25ClFN3O3S and a molecular weight of 441.96 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
PubChem CID112811447
Molecular FormulaC20H25ClFN3O3S
Molecular Weight441.96 g/mol
Exact Mass441.13
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCN(Cc1ccccc1N1CCOCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H25ClFN3O3S/c1-23(14-16-6-3-4-9-20(16)25-10-12-28-13-11-25)29(26,27)24(2)15-17-18(21)7-5-8-19(17)22/h3-9H,10-15H2,1-2H3
InChIKeyWSXRPQQDCIORSA-UHFFFAOYSA-N
XLogP3.12
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine (CID 112811447) is N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine is CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
The InChIKey is WSXRPQQDCIORSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O3S/c1-23(14-16-6-3-4-9-20(16)25-10-12-28-13-11-25)29(26,27)24(2)15-17-18(21)7-5-8-19(17)22/h3-9H,10-15H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine has a molecular weight of 441.96 g/mol, XLogP of 3.12, 7 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]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 112811447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).