N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine

C16H24ClFN2O2S — CID 112811318

IUPACN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine
SMILESCCN(C1CCCCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H24ClFN2O2S/c1-3-20(13-8-5-4-6-9-13)23(21,22)19(2)12-14-15(17)10-7-11-16(14)18/h7,10-11,13H,3-6,8-9,12H2,1-2H3
InChIKeyPLDZJZFGLLWAEC-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.81
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine

N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine (PubChem CID 112811318) has the molecular formula C16H24ClFN2O2S and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine
PubChem CID112811318
Molecular FormulaC16H24ClFN2O2S
Molecular Weight362.90 g/mol
Exact Mass362.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine
SMILESCCN(C1CCCCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H24ClFN2O2S/c1-3-20(13-8-5-4-6-9-13)23(21,22)19(2)12-14-15(17)10-7-11-16(14)18/h7,10-11,13H,3-6,8-9,12H2,1-2H3
InChIKeyPLDZJZFGLLWAEC-UHFFFAOYSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine (CID 112811318) is N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine is CCN(C1CCCCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine?
The InChIKey is PLDZJZFGLLWAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O2S/c1-3-20(13-8-5-4-6-9-13)23(21,22)19(2)12-14-15(17)10-7-11-16(14)18/h7,10-11,13H,3-6,8-9,12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine?
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-ethylcyclohexanamine has a molecular weight of 362.90 g/mol, XLogP of 3.81, 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]-N-ethylcyclohexanamine is sourced from PubChem (CID 112811318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).