N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide

C16H19FN2O3S — CID 56788795

IUPACN-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NC(C)c2ccccc2F)ccc1NS(C)(=O)=O
InChIInChI=1S/C16H19FN2O3S/c1-11(13-6-4-5-7-14(13)17)18-12-8-9-15(16(10-12)22-2)19-23(3,20)21/h4-11,18-19H,1-3H3
InChIKeyKADKJXWCQXDMID-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.38
Rot. Bonds6

About N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide

N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide (PubChem CID 56788795) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide
PubChem CID56788795
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC NameN-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NC(C)c2ccccc2F)ccc1NS(C)(=O)=O
InChIInChI=1S/C16H19FN2O3S/c1-11(13-6-4-5-7-14(13)17)18-12-8-9-15(16(10-12)22-2)19-23(3,20)21/h4-11,18-19H,1-3H3
InChIKeyKADKJXWCQXDMID-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide (CID 56788795) is N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide is COc1cc(NC(C)c2ccccc2F)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide?
The InChIKey is KADKJXWCQXDMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-11(13-6-4-5-7-14(13)17)18-12-8-9-15(16(10-12)22-2)19-23(3,20)21/h4-11,18-19H,1-3H3.
What are the key properties of N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide?
N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide has a molecular weight of 338.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 56788795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).