N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide

C16H19FN2O3S2 — CID 44579446

IUPACN-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)c(F)c1
InChIInChI=1S/C16H19FN2O3S2/c1-18-10-11-8-12(19-24(3,20)21)4-6-15(11)22-13-5-7-16(23-2)14(17)9-13/h4-9,18-19H,10H2,1-3H3
InChIKeyCDUCCZKHIIXOFH-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.43
Rot. Bonds7

About N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide

N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide (PubChem CID 44579446) has the molecular formula C16H19FN2O3S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide
PubChem CID44579446
Molecular FormulaC16H19FN2O3S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC NameN-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)c(F)c1
InChIInChI=1S/C16H19FN2O3S2/c1-18-10-11-8-12(19-24(3,20)21)4-6-15(11)22-13-5-7-16(23-2)14(17)9-13/h4-9,18-19H,10H2,1-3H3
InChIKeyCDUCCZKHIIXOFH-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide (CID 44579446) is N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide is CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)c(F)c1.
What is the InChIKey of N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is CDUCCZKHIIXOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S2/c1-18-10-11-8-12(19-24(3,20)21)4-6-15(11)22-13-5-7-16(23-2)14(17)9-13/h4-9,18-19H,10H2,1-3H3.
What are the key properties of N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide?
N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methylsulfanylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 44579446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).