N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide

C18H20ClFN2O3S — CID 100648536

IUPACN-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)Nc1ccc(Cl)c(CN2CCOCC2)c1
InChIInChI=1S/C18H20ClFN2O3S/c19-18-5-4-17(11-15(18)12-22-6-8-25-9-7-22)21-26(23,24)13-14-2-1-3-16(20)10-14/h1-5,10-11,21H,6-9,12-13H2
InChIKeyMIKZOXYEZLQCSN-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.25
Rot. Bonds6

About N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide

N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 100648536) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID100648536
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)Nc1ccc(Cl)c(CN2CCOCC2)c1
InChIInChI=1S/C18H20ClFN2O3S/c19-18-5-4-17(11-15(18)12-22-6-8-25-9-7-22)21-26(23,24)13-14-2-1-3-16(20)10-14/h1-5,10-11,21H,6-9,12-13H2
InChIKeyMIKZOXYEZLQCSN-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide (CID 100648536) is N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)Nc1ccc(Cl)c(CN2CCOCC2)c1.
What is the InChIKey of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is MIKZOXYEZLQCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c19-18-5-4-17(11-15(18)12-22-6-8-25-9-7-22)21-26(23,24)13-14-2-1-3-16(20)10-14/h1-5,10-11,21H,6-9,12-13H2.
What are the key properties of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide?
N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 398.89 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 100648536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).